Category: 31401-45-3

Kobayashi, Shigeru published the artcileSynthesis of pyrimidines and condensed pyrimidines, COA of Formula: C6H9N3, the publication is Bulletin of the Chemical Society of Japan (1973), 46(9), 2835-9, database is CAplus.

A new one-step synthesis of pyrimidines, e.g. I (R = alkyl) and condensed pyrimidines, e.g., II (n = 2-4) by heating carboxamides or cyclic lactams with formamide in the presence of POCl3 in a sealed tube is described.

Bulletin of the Chemical Society of Japan published new progress about 31401-45-3. 31401-45-3 belongs to pyrimidines, auxiliary class Pyrimidine,Amine, name is N,N-Dimethylpyrimidin-4-amine, and the molecular formula is C6H9N3, COA of Formula: C6H9N3.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Jovanovic, Misa V. published the artcileSyntheses of some pyrimidine N-oxides, Synthetic Route of 31401-45-3, the publication is Canadian Journal of Chemistry (1984), 62(6), 1176-80, database is CAplus.

Various monosubstituted pyrimidines and methylpyrimidines were N-oxidized with a number of different peracids. In general, they are more susceptible to side reactions accompanying N-oxidation than other π-deficient diazines and triazines. Unsym. pyrimidines, which can potentially yield 2 isomeric products, were N-oxidized preferentially at the site para to strong electron-donating substituents. Weaker ring-activating groups, such as Me, are mainly ortho-directing and only aid in the N-oxidation of pyrimidine nuclei having ortho/para-directing substituents.

Canadian Journal of Chemistry published new progress about 31401-45-3. 31401-45-3 belongs to pyrimidines, auxiliary class Pyrimidine,Amine, name is N,N-Dimethylpyrimidin-4-amine, and the molecular formula is C6H9N3, Synthetic Route of 31401-45-3.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Grabowski, Zbigniew R. published the artcileTwisted intramolecular charge transfer states (TICT). A new class of excited states with a full charge separation, COA of Formula: C6H9N3, the publication is Nouveau Journal de Chimie (1979), 3(7), 443-54, database is CAplus.

The dual fluorescence of N,N-dialkylanilines as well as the high polarity of the lowest excited singlet states of compounds containing perpendicular donor (D) and acceptor (A) orbitals is explained by a common phenomenon involving 1 electron transfer in this new class of excited states, TICT. The electronic structure, thermodn. and formation kinetics, dipole moments, and radiative and radiationless transitions of the TICT states are discussed. The TICT states are formed by D-A mols. as well as sym. biaryls and I.

Nouveau Journal de Chimie published new progress about 31401-45-3. 31401-45-3 belongs to pyrimidines, auxiliary class Pyrimidine,Amine, name is N,N-Dimethylpyrimidin-4-amine, and the molecular formula is C6H9N3, COA of Formula: C6H9N3.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Litonska, Ewa published the artcileConformation of the dimethylamino group in cytosine and in simple model pyrimidines and pyridines. Steric effects of ortho-methyl substitution on infrared spectra and molecular dipole moments, Product Details of C6H9N3, the publication is Acta Biochimica Polonica (1979), 26(1-2), 39-54, database is CAplus.

The IR of NR₂ (R = H, Me) derivatives of 4- or 5-substituted pyrimidines, 4-substituted pyridines, benzenes, or the resp. cytosines were determined in the skeletal ring vibration region. The sensitivity of the ring vibrations, at âˆ?600 cm^-1, to electron donating groups is used to determine the o-Me group as the steric hindrance of NMe₂ conjugation with the ring. The dipole moments of simple pyrimidine and pyridine derivatives were determined in C₆H₆. The vectorial anal. of the dipole moments indicates that the twisting of the Me₂N group in the hindered derivatives decreases in the order: 5-dimethylaminopyrimidine > 4-dimethylaminopyridine > 4-dimethylaminopyrimidine. Sterically crowded I is planar.

Acta Biochimica Polonica published new progress about 31401-45-3. 31401-45-3 belongs to pyrimidines, auxiliary class Pyrimidine,Amine, name is N,N-Dimethylpyrimidin-4-amine, and the molecular formula is C6H9N3, Product Details of C6H9N3.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Sparatore, Anna published the artcilePharmacological profile of a novel H₂S-releasing aspirin, Recommanded Product: N,N-Dimethylpyrimidin-4-amine, the publication is Free Radical Biology & Medicine (2009), 46(5), 586-592, database is CAplus and MEDLINE.

The pharmacol. profile of a new, safe, and effective hydrogen sulfide (H₂S)-releasing derivative of aspirin (ACS14) is described. We report the synthesis of ACS14, and of its deacetylated metabolite (ACS21), the preliminary pharmacokinetics, and its in vivo metabolism, with the H₂S blood plasma levels after i.v. administration in the rat. ACS14 maintains the thromboxane-suppressing activity of the parent compound, but seems to spare the gastric mucosa, by affecting redox imbalance through increased H₂S/glutathione formation, heme oxygenase-1 promoter activity, and isoprostane suppression.

Free Radical Biology & Medicine published new progress about 31401-45-3. 31401-45-3 belongs to pyrimidines, auxiliary class Pyrimidine,Amine, name is N,N-Dimethylpyrimidin-4-amine, and the molecular formula is Al2H32O28S3, Recommanded Product: N,N-Dimethylpyrimidin-4-amine.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Herbich, Jerzy published the artcile“Twisted” intramolecular charge-transfer states in supercooled molecules: structural effects and clustering with polar molecules, Formula: C6H9N3, the publication is Journal of Physical Chemistry (1991), 95(9), 3491-7, database is CAplus.

A study of laser-induced fluorescence and excitation spectra of jet-cooled 4-(dimethylamino)benzonitriles and 4-(dialkylamino)pyrimidines and their complexes with small polar mols. (methanol and acetonitrile). Various ground-state forms (monomers, dimers, and larger clusters) have been observed The bare mols. [except Me₂NC₆H₂Me₂(CN)-2,6,4] do not exhibit any distinct long-wave fluorescence that can be assigned to a twisted intramol. charge-transfer (TICT) state. Microsolvation of pretwisted compounds by small polar mols. gives rise to a long-wave fluorescence, which is interpreted as emission from a TICT state.

Journal of Physical Chemistry published new progress about 31401-45-3. 31401-45-3 belongs to pyrimidines, auxiliary class Pyrimidine,Amine, name is N,N-Dimethylpyrimidin-4-amine, and the molecular formula is C6H9N3, Formula: C6H9N3.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Herbich, Jerzy published the artcileIntramolecular electron transfer in 4-(dialkylamino)pyrimidines. Study in solutions and supersonic jet, Name: N,N-Dimethylpyrimidin-4-amine, the publication is Proceedings – Indian Academy of Sciences, Chemical Sciences (1992), 104(2), 117-31, database is CAplus.

The dual fluorescence (a and b) of 4-(dialkylamino)pyrimidines (4-DAAP) in solutions is explained in terms of the twisted intramol. charge transfer (TICT) state model. 4-DAAP form complexes with protic solvents: efficient radiationless depopulation is switched on by H-bonding (HB). The photoinduced electron transfer is modified by HB or by coordination to the metal ion. In nitriles, 2 emitting states of 4-(N,N-dimethylamino)pyrimidine (I) and 4-(N,N-diethylamino)pyrimidine (II) reach equilibrium In protic solvents, the fluorescences a and b are not kinetically coupled: the different ground state complexes are responsible for each band. Jet-cooled 4-DAAP show only primary excited fluorescence b. Microsolvation of pretwisted o-methylated compounds, by small polar mols., contrary to more planar I and II, gives rise to the long-wave (probably TICT) fluorescence.

Proceedings – Indian Academy of Sciences, Chemical Sciences published new progress about 31401-45-3. 31401-45-3 belongs to pyrimidines, auxiliary class Pyrimidine,Amine, name is N,N-Dimethylpyrimidin-4-amine, and the molecular formula is C6H9N3, Name: N,N-Dimethylpyrimidin-4-amine.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Alonso, Mercedes published the artcileChemical applications of neural networks: aromaticity of pyrimidine derivatives, COA of Formula: C6H9N3, the publication is Physical Chemistry Chemical Physics (2011), 13(46), 20564-20574, database is CAplus and MEDLINE.

Neural networks are computational tools able to apprehend nonlinear relations between different parameters, having the capacity to order a large amount of input data and transform them into a graphical pattern of output data. The authors have previously reported their use for the quantification of the aromaticity through the Euclidean distance between neurons. The authors apply the method to a variety of pyrimidine derivatives with electron-donor and electron-withdrawing groups as substituents, with capacity to produce push-pull compounds The authors have calculated the aromaticity of benzene (as a reference mol.), parent pyrimidine and other 11 pyrimidine derivatives having amino, dimethylamino and tricyanovinyl substitution. The neural network was generated using ASE, Λ, NICS_zz(1) and HOMA as aromaticity descriptors, since previous work showed that the combination of these indexes provided the best performance of the network. On studying the influence of the substituent on the aromaticity of the mol., opposite to benzene derivatives, all the substituents decrease the aromaticity of the ring. The interplay between aromaticity, planarity and push-pull properties of all the substituted pyrimidines also was addressed. An interesting feature of the neural network to quantify aromaticity is that the importance of the reference reaction used to evaluate energy stabilization and magnetic susceptibility exaltation is minimized.

Physical Chemistry Chemical Physics published new progress about 31401-45-3. 31401-45-3 belongs to pyrimidines, auxiliary class Pyrimidine,Amine, name is N,N-Dimethylpyrimidin-4-amine, and the molecular formula is C6H9N3, COA of Formula: C6H9N3.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Alonso, Mercedes published the artcileChemical applications of neural networks: aromaticity of pyrimidine derivatives, COA of Formula: C6H9N3, the publication is Physical Chemistry Chemical Physics (2011), 13(46), 20564-20574, database is CAplus and MEDLINE.

Neural networks are computational tools able to apprehend nonlinear relations between different parameters, having the capacity to order a large amount of input data and transform them into a graphical pattern of output data. The authors have previously reported their use for the quantification of the aromaticity through the Euclidean distance between neurons. The authors apply the method to a variety of pyrimidine derivatives with electron-donor and electron-withdrawing groups as substituents, with capacity to produce push-pull compounds The authors have calculated the aromaticity of benzene (as a reference mol.), parent pyrimidine and other 11 pyrimidine derivatives having amino, dimethylamino and tricyanovinyl substitution. The neural network was generated using ASE, Λ, NICS_zz(1) and HOMA as aromaticity descriptors, since previous work showed that the combination of these indexes provided the best performance of the network. On studying the influence of the substituent on the aromaticity of the mol., opposite to benzene derivatives, all the substituents decrease the aromaticity of the ring. The interplay between aromaticity, planarity and push-pull properties of all the substituted pyrimidines also was addressed. An interesting feature of the neural network to quantify aromaticity is that the importance of the reference reaction used to evaluate energy stabilization and magnetic susceptibility exaltation is minimized.

Physical Chemistry Chemical Physics published new progress about 31401-45-3. 31401-45-3 belongs to pyrimidines, auxiliary class Pyrimidine,Amine, name is N,N-Dimethylpyrimidin-4-amine, and the molecular formula is C6H9N3, COA of Formula: C6H9N3.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia

Larsen, Aaron T. published the artcilePredictable stereoselective and chemoselective hydroxylations and epoxidations with P450 3A4, Formula: C6H9N3, the publication is Journal of the American Chemical Society (2011), 133(20), 7853-7858, database is CAplus and MEDLINE.

Enantioselective hydroxylation of one specific methylene in the presence of many similar groups is debatably the most challenging chem. transformation. Although chemists have recently made progress toward the hydroxylation of inactivated C-H bonds, enzymes such as P 450s (CYPs) remain unsurpassed in specificity and scope. The substrate promiscuity of many P 450s is desirable for synthetic applications; however, the inability to predict the products of these enzymic reactions is impeding advancement. We demonstrate here the utility of a chem. auxiliary to control the selectivity of CYP3A4 reactions. When linked to substrates, inexpensive, achiral theobromine directs the reaction to produce hydroxylation or epoxidation at the fourth carbon from the auxiliary with pro-R facial selectivity. This strategy provides a versatile yet controllable system for regio-, chemo-, and stereoselective oxidations at inactivated C-H bonds and demonstrates the utility of chem. auxiliaries to mediate the activity of highly promiscuous enzymes.

Journal of the American Chemical Society published new progress about 31401-45-3. 31401-45-3 belongs to pyrimidines, auxiliary class Pyrimidine,Amine, name is N,N-Dimethylpyrimidin-4-amine, and the molecular formula is C6H9N3, Formula: C6H9N3.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia