Tag: 130.1466

Vatanparast, Morteza et al. published their research in Journal of Molecular Graphics & Modelling in 2022 | CAS: 253-50-9

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. The naphthyridines and their derivatives exhibit various types of biological activity, and the organic chemistry has been frequently reviewed. Transition metal complexes of 1,5-naphthyridine (1,5-napy) seems to form one-dimensional coordination polymers with the ligand acting as bidentate in a “stepped” bridging fashion.Synthetic Route of C8H6N2

Efficient hole transport materials based on naphthyridine core designed for application in perovskite solar photovoltaics was written by Vatanparast, Morteza;Shariatinia, Zahra. And the article was included in Journal of Molecular Graphics & Modelling in 2022.Synthetic Route of C8H6N2 This article mentions the following:

Naphthyridine-based compounds with a donor-acceptor-donor (D-A-D) skeleton were considered as hole transport materials (HTMs) for perovskite solar cells (PSCs). The optical characteristics, stability, solubility, Hirshfeld surface anal., crystal structure, and hole transport properties of the HTMs were studied systematically. The HOMO energies of all HTMs were higher than valence band of CH3NH3PbI3 (MAPbI3) perovskite signifying naphthyridine-based HTMs had appropriate energy alignments for usage in PSCs. The LUMO level of designed HTMs were higher than MAPbI3 conduction band ensuring prevention of backward electronic movement from MAPbI3 to the cathode. The λmaxabs amounts of all HTMs were close 400 nm, which showed their competition with perovskite was impossible. The 18NP and 26NP HTMs had higher hole mobilities compared to that of the Spiro-OMeTAD. Considering aligned HOMO energies, suitable hole mobilities, satisfactory stability and solubility, 18NP (1,8-Naphthyridine) and 26NP (2,6-Naphthyridine) were introduced as the best HTM materials for PSCs which could replace Spiro-OMeTAD. In the experiment, the researchers used many compounds, for example, 2,6-Naphthyridine (cas: 253-50-9Synthetic Route of C8H6N2).

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. The naphthyridines and their derivatives exhibit various types of biological activity, and the organic chemistry has been frequently reviewed. Transition metal complexes of 1,5-naphthyridine (1,5-napy) seems to form one-dimensional coordination polymers with the ligand acting as bidentate in a “stepped” bridging fashion.Synthetic Route of C8H6N2

Referemce:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Knuts, Soeren et al. published their research in Journal of Molecular Structure: THEOCHEM in 1994 | CAS: 253-50-9

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. Six naphthyridine isomers are white solids with a surprisingly wide span of melting points: 1,6-Naphthyridine’s is the lowest at <40 ºC; 2,6-naphthyridine’s is the highest at 114–115 ºC. Very few metal complexes of naphthyridines other than 1,8-naphthyridine have been described.Application of 253-50-9

Phosphorescence of aromatic molecules was written by Knuts, Soeren;Agren, Hans;Minaev, Boris F.. And the article was included in Journal of Molecular Structure: THEOCHEM in 1994.Application of 253-50-9 This article mentions the following:

Quadratic response theory for singlet and triplet operators (O. Vahtras et al., 1992) was recently applied to series of small mols. as well as to several aromatic compounds A comparative anal. of the results of such calculations on the phosphorescence effect in benzene, naphthalene and various azabenzenes and azanaphthalenes is presented. The information gained from such calculations concerns polarization directions, oscillator strengths, radiative lifetimes and excitation energies for the triplet states. These quantities either refer to values averaged over the triplet states or to the specific triplet state spin sublevels. The vibronically induced phosphorescence problem, with specific reference to benzene phosphorescence which is forbidden both by spin and orbital symmetry and only allowed through the coupling of nuclear and electronic motions is also discussed. Results are compared with vapor phase data concerning total radiative lifetimes, and with data from phosphorescence microwave double resonance measurements of matrix isolated samples concerning the spin sublevel rates. In the experiment, the researchers used many compounds, for example, 2,6-Naphthyridine (cas: 253-50-9Application of 253-50-9).

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. Six naphthyridine isomers are white solids with a surprisingly wide span of melting points: 1,6-Naphthyridine’s is the lowest at <40 ºC; 2,6-naphthyridine’s is the highest at 114–115 ºC. Very few metal complexes of naphthyridines other than 1,8-naphthyridine have been described.Application of 253-50-9

Referemce:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Srivastava, K. P. et al. published their research in Pharma Chemica in 2014 | CAS: 253-50-9

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. The naphthyridine ring system, being very π-deficient, is highly vulnerable towards nucleophilic attack, and consequently there has been extensive investigation of reactions involving nitrogen nucleophiles. Imidazonaphthyridines have been prepared through a ‘one-pot’ three-component ‘domino’ reaction between the keto-ester, acrolein, and ethylenediamine in presence of 4 Å molecular sieves.Application In Synthesis of 2,6-Naphthyridine

An eco-sustainable green approach for the synthesis of 2,6-naphthyridines under microwave irradiation was written by Srivastava, K. P.;Singh, Indu;Kumari, Anupma. And the article was included in Pharma Chemica in 2014.Application In Synthesis of 2,6-Naphthyridine This article mentions the following:

A microwave-promoted new easy, efficient, clean and environmentally benign method for the synthesis of 2,6-naphthyridine and its derivatives from 4-cyano-3-pyridylacetonitrile has been developed. The desired products were isolated in excellent yields and high purity under eco-friendly conditions. In the experiment, the researchers used many compounds, for example, 2,6-Naphthyridine (cas: 253-50-9Application In Synthesis of 2,6-Naphthyridine).

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. The naphthyridine ring system, being very π-deficient, is highly vulnerable towards nucleophilic attack, and consequently there has been extensive investigation of reactions involving nitrogen nucleophiles. Imidazonaphthyridines have been prepared through a ‘one-pot’ three-component ‘domino’ reaction between the keto-ester, acrolein, and ethylenediamine in presence of 4 Å molecular sieves.Application In Synthesis of 2,6-Naphthyridine

Referemce:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

McCool, Brian J. et al. published their research in Molecular Physics in 1984 | CAS: 253-50-9

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. Functionalized naphthyridines and their benzo/heterofused analogs are present in numerous marine products and reported to possess wide-ranging activities such as antiproliferative, antiaggressive, and HIV-1 integrase inhibition in addition to their use as anti-HCV agents. Imidazonaphthyridines have been prepared through a ‘one-pot’ three-component ‘domino’ reaction between the keto-ester, acrolein, and ethylenediamine in presence of 4 Å molecular sieves.Category: naphthyridine

Paramagnetic resonance of phosphorescent diazanaphthalenes. II. Crystal packing of 1,7- and 1,3-diazanaphthalenes in durene was written by McCool, Brian J.;Markey, B. R.;Bramley, Richard. And the article was included in Molecular Physics in 1984.Category: naphthyridine This article mentions the following:

The EPR spectra of the lowest triplet state of each of 1,3- and 1,7-diazanaphthalene in solid solution in durene single crystals at 97 K reveal deviations from perfect guest substitution. Crystal packing calculations using atom-atom potentials and allowing for host lattice relaxation confirm that guest rotations about the normal axis are to be expected and could be several tens of degrees away from perfect substitution. Guest center of mass positions can be up to 1 Å away from the inversion center of durene. The calculated potential curves with respect to this rotation show shallow potential min. corresponding to metastable sites. The broad, shallow features of the potential wells suggest that measurements at liquid N temperatures may well differ from those recorded at liquid He temperatures In the experiment, the researchers used many compounds, for example, 2,6-Naphthyridine (cas: 253-50-9Category: naphthyridine).

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. Functionalized naphthyridines and their benzo/heterofused analogs are present in numerous marine products and reported to possess wide-ranging activities such as antiproliferative, antiaggressive, and HIV-1 integrase inhibition in addition to their use as anti-HCV agents. Imidazonaphthyridines have been prepared through a ‘one-pot’ three-component ‘domino’ reaction between the keto-ester, acrolein, and ethylenediamine in presence of 4 Å molecular sieves.Category: naphthyridine

Referemce:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Maclagan, Robert G. A. R. et al. published their research in Journal of Physical Chemistry A in 2015 | CAS: 253-50-9

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. The naphthyridines and their derivatives exhibit various types of biological activity, and the organic chemistry has been frequently reviewed. Imidazonaphthyridines have been prepared through a ‘one-pot’ three-component ‘domino’ reaction between the keto-ester, acrolein, and ethylenediamine in presence of 4 Å molecular sieves.Electric Literature of C8H6N2

Protonated polycyclic aromatic nitrogen heterocyclics: Proton affinities, polarizabilities, and atomic and ring charges of 1-5-ring ions was written by Maclagan, Robert G. A. R.;Gronert, Scott;Meot-Ner, Michael. And the article was included in Journal of Physical Chemistry A in 2015.Electric Literature of C8H6N2 This article mentions the following:

Calculated proton affinities, polarizabilities, and some ionization energies and at. and ring NBO charges are reported for 31 polycyclic aromatic nitrogen heterocyclics (PANHs) with 1-5 rings, calculated on the on the M06-2X/6-311+g**//B3LYP/6-31g* level of theory. The calculated proton affinities from 226 to 241 kcal mol-1 for 3-5-ring compounds, predict well the relative exptl. values. The proton affinities increase with increasing mol. size and show a linear correlation with polarizabilities. Linear geometry and nitrogen located in the central ring also favor increased proton affinity. These trends estimate a PA > 241 kcal mol-1 for an infinite linear chain, end-ring-N PANH mol., and >261 kcal mol-1 for an edge-N-doped graphene sheet, making it a superbase. NBO anal. shows that from pyridineH+ to large 5-ring ions, the N-H nitrogen carries a constant q(N) = -0.46 ± 0.1 charge, and the N-H hydrogen a constant q(H) = 0.43 ± 0.01 pos. charge, similar to the q(H) in NH4+. Overall, the NH group is nearly elec. neutral, and a nearly full pos. charge is distributed on the aromatic hydrocarbon rings of the ions. When the nitrogen is in a central ring, that ring is neg., and the pos. ionic charge is delocalized toward the end rings. When the nitrogen is in an end ring, the ionic charge is distributed more evenly. Increasing proton affinities with increasing polarizability result not from increasing charge transfer from the proton to the aromatic rings, but from increasing delocalization of the transferred charge in the aromatic hydrocarbon rings of the ions. In two-nitrogen compounds, interactions between the ring nitrogens decrease the proton affinities, but this effect decreases in larger ions. In the experiment, the researchers used many compounds, for example, 2,6-Naphthyridine (cas: 253-50-9Electric Literature of C8H6N2).

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. The naphthyridines and their derivatives exhibit various types of biological activity, and the organic chemistry has been frequently reviewed. Imidazonaphthyridines have been prepared through a ‘one-pot’ three-component ‘domino’ reaction between the keto-ester, acrolein, and ethylenediamine in presence of 4 Å molecular sieves.Electric Literature of C8H6N2

Referemce:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Singh, P. et al. published their research in Indian Journal of Medical Research (1913-1988) in 1979 | CAS: 253-50-9

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. Functionalized naphthyridines and their benzo/heterofused analogs are present in numerous marine products and reported to possess wide-ranging activities such as antiproliferative, antiaggressive, and HIV-1 integrase inhibition in addition to their use as anti-HCV agents. Transition metal complexes of 1,5-naphthyridine (1,5-napy) seems to form one-dimensional coordination polymers with the ligand acting as bidentate in a “stepped” bridging fashion.Quality Control of 2,6-Naphthyridine

Quantitative correlation between the electronic structure and diuretic activity of azanaphthalene derivatives was written by Singh, P.;Gupta, S. P.. And the article was included in Indian Journal of Medical Research (1913-1988) in 1979.Quality Control of 2,6-Naphthyridine This article mentions the following:

A mol. orbital PPP method was used to study the relationship between the electronic structure and the diuretic activity of azanaphthalene derivatives Regression anal. revealed significant linear correlation between the charge d. at the ring junction and the diuretic activity of the compounds In the experiment, the researchers used many compounds, for example, 2,6-Naphthyridine (cas: 253-50-9Quality Control of 2,6-Naphthyridine).

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. Functionalized naphthyridines and their benzo/heterofused analogs are present in numerous marine products and reported to possess wide-ranging activities such as antiproliferative, antiaggressive, and HIV-1 integrase inhibition in addition to their use as anti-HCV agents. Transition metal complexes of 1,5-naphthyridine (1,5-napy) seems to form one-dimensional coordination polymers with the ligand acting as bidentate in a “stepped” bridging fashion.Quality Control of 2,6-Naphthyridine

Referemce:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Giacomello, G. et al. published their research in Tetrahedron Letters in 1965 | CAS: 253-50-9

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. The naphthyridines and their derivatives exhibit various types of biological activity, and the organic chemistry has been frequently reviewed. Enoxacin, nalidixic acid, and trovafloxacin are 1,8-naphthyridine derivatives with antibacterial properties related to the fluoroquinolones.Name: 2,6-Naphthyridine

Synthesis of 2,6-naphthyridine was written by Giacomello, G.;Gualtieri, F.;Riceieri, F. M.;Stein, M. L.. And the article was included in Tetrahedron Letters in 1965.Name: 2,6-Naphthyridine This article mentions the following:

Transformation of 4-carbethoxynicotinic acid via the acid chloride, b0.1 102°, gave Et β-diazoacetylisonicotinate (I), m. 58-60° (Et2O). I treated with Ag2O in absolute alc. with rearrangement and loss of N gave di-Et β-homocinchomeronate (II), b0.05 116-17°; picrate m. 104-6°. II kept several days with alc. NH4OH in a sealed tube and heated at 100° gave the diamide, converted by heating above the m.p. at 177-82° to give the imide (III), m. 229-30° (H2O). III kept several hrs. at 120° in a sealed tube with POCl3 gave 1,3-dichloro-2,6-naphthyridine (IV), m. 116° (petr. ether), converted to the 1,3-dihydrazine derivative, m. 300°. The dihydrazine in H2O-AcOH heated with 10% CuSO4 solution on a steam bath and the mixture made alk. with 5N NaOH, extracted with CH2Cl2 and the dried (Na2SO4) extract evaporated gave a solid, sublimed at 60°/0.1 mm. to yield 2,6-naphthyridine, m. 114-15°; monopicrate m. 206° (alc.). Attempted hydrogenolysis of IV with H over prereduced PtO2 gave 5,6,7,8-tetrahydro-1,3-dichloro-2,6-naphthyridine, m. 125-7° (petr. ether). III mixed with Zn dust and heated at 170° in a sealed tube also gave 2,6-naphthyridine in poorer yields. Spectral data are given. In the experiment, the researchers used many compounds, for example, 2,6-Naphthyridine (cas: 253-50-9Name: 2,6-Naphthyridine).

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. The naphthyridines and their derivatives exhibit various types of biological activity, and the organic chemistry has been frequently reviewed. Enoxacin, nalidixic acid, and trovafloxacin are 1,8-naphthyridine derivatives with antibacterial properties related to the fluoroquinolones.Name: 2,6-Naphthyridine

Referemce:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Hess, B. A. Jr. et al. published their research in Tetrahedron in 1975 | CAS: 253-50-9

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. The naphthyridines have 10 delocalized π-electrons located in five molecular orbitals, each of which is distorted by the presence of the nitrogen atoms causing an electron drift in that direction. Enoxacin, nalidixic acid, and trovafloxacin are 1,8-naphthyridine derivatives with antibacterial properties related to the fluoroquinolones.Recommanded Product: 2,6-Naphthyridine

Aromaticity of heterocycles containing the imine nitrogen was written by Hess, B. A. Jr.;Schaad, L. J.;Holyoke, C. W. Jr.. And the article was included in Tetrahedron in 1975.Recommanded Product: 2,6-Naphthyridine This article mentions the following:

The method of predicting aromaticity based on simple Heuckel calculations was applied to heterocyclic systems containing imine N. The necessary heteroatomic integrals were determined from thermochem. data. Replacement of C by N in alternant systems, e.g. benzene and pyridine, produced little change but in nonalternants, e.g. pentalene and azapentalene, the effect was large, and interesting synthetic possibilities were suggested. In the experiment, the researchers used many compounds, for example, 2,6-Naphthyridine (cas: 253-50-9Recommanded Product: 2,6-Naphthyridine).

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. The naphthyridines have 10 delocalized π-electrons located in five molecular orbitals, each of which is distorted by the presence of the nitrogen atoms causing an electron drift in that direction. Enoxacin, nalidixic acid, and trovafloxacin are 1,8-naphthyridine derivatives with antibacterial properties related to the fluoroquinolones.Recommanded Product: 2,6-Naphthyridine

Referemce:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Litvinov, V. P. et al. published their research in Advances in Heterocyclic Chemistry in 2006 | CAS: 253-50-9

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. Six naphthyridine isomers exist, based on the positions of the nitrogen atoms; they can be in the 1,5, 1,6, 1,7, 1,8, 2,6, or 2,7 positions. Imidazonaphthyridines have been prepared through a ‘one-pot’ three-component ‘domino’ reaction between the keto-ester, acrolein, and ethylenediamine in presence of 4 Å molecular sieves. The corresponding thiazolonaphthyridine is obtained from a similar reaction using 2-aminoethanethiol and Dowex basic anion-exchange resin.Computed Properties of C8H6N2

Advances in the chemistry of naphthyridines was written by Litvinov, V. P.. And the article was included in Advances in Heterocyclic Chemistry in 2006.Computed Properties of C8H6N2 This article mentions the following:

A review in which an anal. is made of the synthesis and properties of 6 isomeric heterocyclic systems containing 2 fused pyridine rings with different mutual arrangements of N atoms, naphthyridines (pyridopyridines, diazanaphthalenes). In the experiment, the researchers used many compounds, for example, 2,6-Naphthyridine (cas: 253-50-9Computed Properties of C8H6N2).

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. Six naphthyridine isomers exist, based on the positions of the nitrogen atoms; they can be in the 1,5, 1,6, 1,7, 1,8, 2,6, or 2,7 positions. Imidazonaphthyridines have been prepared through a ‘one-pot’ three-component ‘domino’ reaction between the keto-ester, acrolein, and ethylenediamine in presence of 4 Å molecular sieves. The corresponding thiazolonaphthyridine is obtained from a similar reaction using 2-aminoethanethiol and Dowex basic anion-exchange resin.Computed Properties of C8H6N2

Referemce:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem

Koutecky, Jaroslav et al. published their research in Journal of Chemical Physics in 1967 | CAS: 253-50-9

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. Six naphthyridine isomers are white solids with a surprisingly wide span of melting points: 1,6-Naphthyridine’s is the lowest at <40 ºC; 2,6-naphthyridine’s is the highest at 114–115 ºC. Enoxacin, nalidixic acid, and trovafloxacin are 1,8-naphthyridine derivatives with antibacterial properties related to the fluoroquinolones.Application of 253-50-9

Some properties of semiempirical Hamiltonians was written by Koutecky, Jaroslav. And the article was included in Journal of Chemical Physics in 1967.Application of 253-50-9 This article mentions the following:

The Hamiltonian used in semiempirical Pariser-Parr-Pople (P.P.P)-type treatments is put in a form such that (a) the parameters on which correlation effects depend become obvious and (b) the part of the Hamiltonian responsible for deviations from pairing properties of conjugated heterocycles with alternant topology is isolated. A set of approx. rules based on this analysis is derived. The rules concerning the extent of correlation effects are compared for some conjugated hydrocarbons with computations by full configuration interaction in the π-electron approximation Generalizations are derived of known conditions under which heterocyclic systems are paired. The character of the two first excited states of heteroanalogs and heteroderivs. of alternant hydrocarbons is discussed, and rules determining deviations from the behavior of parent alternant hydrocarbons are formulated. This makes it possible to predict the polarizations of the first two transitions in these compounds in the P.P.P. approximation with limited configuration interaction. The predictions are compared with some results of calculations on azines and amines. In the experiment, the researchers used many compounds, for example, 2,6-Naphthyridine (cas: 253-50-9Application of 253-50-9).

2,6-Naphthyridine (cas: 253-50-9) belongs to naphthyridine derivatives. Six naphthyridine isomers are white solids with a surprisingly wide span of melting points: 1,6-Naphthyridine’s is the lowest at <40 ºC; 2,6-naphthyridine’s is the highest at 114–115 ºC. Enoxacin, nalidixic acid, and trovafloxacin are 1,8-naphthyridine derivatives with antibacterial properties related to the fluoroquinolones.Application of 253-50-9

Referemce:
1,8-Naphthyridine – Wikipedia,
1,8-Naphthyridine | C8H6N2 – PubChem