Tag: M.W=100-150

Shkurko, O. P. published the artcileVibrational spectra of monosubstituted pyrimidines, Quality Control of 31401-45-3, the publication is Zhurnal Prikladnoi Spektroskopii (1975), 23(5), 860-5, database is CAplus.

The ir and Raman spectra of 2-, 4-, and 5-monosubstituted pyrimidine derivatives were measured at 400-1600 cm-1 and the characteristic frequencies were assigned. The Raman spectra of the 2-substituted pyrimidines were characterized with strong polarized bands at 1075-95 (low intensity ir) belonging to the in-plane deformation vibration of the CH pyrimidine bonds, a 990-1000 (medium intensity ir) of the breathing vibrations of the ring at 720-870 of substituent-sensitive vibrations and with a medium depolarized band at 630-655 cm-1 (medium or strong in ir). The ir spectra show a strong band at 800-830 cm-1 (low in the Raman spectra) of the out-of plane CH vibrations. The 5-substituted derivatives show in the Raman spectra intensive polarized bands at 1080-1125 (in plane CH deformation) and at 720-860 cm-1 (substituent-sensitive vibrations) and a medium band at 610-40 cm-1. The ir spectra show, in analogy with 1,3,5-trisubstituted benzene, strong bands at 860-900 and 710-730 cm-1. The Raman spectra of the 4-monosubstituted pyrimidines are characterized with strong polarized bands at 980-95 (“breathing” vibrations) and at 720-870 cm-1 both frequencies are of medium intensity in the ir. The bands at 1100 and 610-640 cm-1 observed at 2- and 5-substituted pyrimidines are absent. The ir spectra show intense bands of the out-of-plane CH deformation vibrations at 800-850 cm-1 which are of low intensity in the Raman spectrum.

Zhurnal Prikladnoi Spektroskopii 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 C14H17FN4O3, Quality Control of 31401-45-3.

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

Novak, Igor published the artcileElectronic structure and biological activity of nucleobases, Formula: C5H6N2O2, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2005), 61A(11-12), 2771-2774, database is CAplus and MEDLINE.

HeI and HeII photoelectron spectra of 6-chloro-1,3-dimethyluracil have been measured. The assignment of the spectrum was made by comparison with photoelectron spectra of related compounds and by high-level OVGF calculations The electronic structure changes in substituted nucleobases are discussed on the basis of photoelectron spectroscopic data. The electronic structure data are compared with structure-activity relationships regarding enzyme inhibition and complex formation. The electronic structure data give some insight into the nature of binding between nucleobases’ derivatives and different enzymes whose activity they inhibit.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Formula: C5H6N2O2.

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

Zielenkiewicz, Wojciech published the artcileHeat Capacities of Uracil, Thymine, and Its Alkylated, Cyclooligomethylenated, and Halogenated Derivatives by Differential Calorimetry, Recommanded Product: 3-Methylpyrimidine-2,4(1H,3H)-dione, the publication is Journal of Chemical & Engineering Data (2007), 52(1), 93-97, database is CAplus.

The molar heat capacity (C_p) of solid uracil, its alkylated and halogenated derivatives, and cyclooligomethylenouracils in the temperature range of (298.15 to 343.15) K by a differential scanning calorimeter (SETARAM TG-DSC 111) were determined It was demonstrated that the C_p value increases by increasing the number of methylene groups attached to the diketo-pyrimidine ring. The correlations C_p = f(T) are given. The contributions of C-CH₃, N-CH₃, and C-NO₂ groups as well as F, Cl, Br, and I atoms in the value of C_p for the temperature of 298.15 K are presented. The Chickos method for calculation of C_p values is discussed.

Journal of Chemical & Engineering Data published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C10H10O3, Recommanded Product: 3-Methylpyrimidine-2,4(1H,3H)-dione.

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

Mikhaleva, M. A. published the artcileSynthesis of Schiff bases of 2-substituted 5-aminopyrimidines and their mesomorphic properties, Computed Properties of 56621-93-3, the publication is Khimiya Geterotsiklicheskikh Soedinenii (1982), 1545-52, database is CAplus.

Schiff bases I (R = MeO, BuO, Me, Cl, CN, p-MeOC₆H₄, p-BuOC₆H₄, p-C₆H₁₃OC₆H₄, Ph, p-BrC₆H₄; R¹ = alkoxy, NO₂) were prepared in 32-100% yields by condensation of 4-R¹C₆H₄CHO with the corresponding aminopyrimidine and the liquid crystal properties (anisotropic dielec. permeability) of I (R, R¹ = MeO, C₆H₁₃O; BuO, C₈H₁₇O; Cl, C₉H₁₉O; CN, BuO; p-C₆H₁₃OC₆H₄, C₆H₁₃O) were determined

Khimiya Geterotsiklicheskikh Soedinenii published new progress about 56621-93-3. 56621-93-3 belongs to pyrimidines, auxiliary class Pyrimidine,Nitrile,Amine, name is 5-Aminopyrimidine-2-carbonitrile, and the molecular formula is C5H4N4, Computed Properties of 56621-93-3.

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

Bojarska, Elzbieta published the artcileNovel electrochemically derived dimers of methylated uracils, Category: pyrimidines, the publication is Zeitschrift fuer Naturforschung, B: Chemical Sciences (1997), 52(6), 742-748, database is CAplus.

Electrolysis of HOAc/NaOAc solutions of N-methylated uracils results in the formation of 5-substituted Me and acetoxy derivatives Electrolysis of CF₃CO₂H/CF₃CO₂K solutions of N(1)- and N(3)-methylated uracils provided, besides 5-trifluoromethyl derivatives, novel N-C uracil dimers. Decomposition kinetics of the latter in NaOH are reported. In case of 1,3-dimethyluracil in CF₃CO₂H, N(1)-demethylation was also observed

Zeitschrift fuer Naturforschung, B: Chemical Sciences published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Category: pyrimidines.

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

Peacock, Hayden published the artcileChemical Modification of siRNA Bases To Probe and Enhance RNA Interference, HPLC of Formula: 608-34-4, the publication is Journal of Organic Chemistry (2011), 76(18), 7295-7300, database is CAplus and MEDLINE.

A review. Considerable attention has focused on the use of alternatives to the native ribose and phosphate backbone of small interfering RNAs for therapeutic applications of the RNA interference pathway. In this synopsis, we highlight the less common chem. modifications, namely, those of the RNA nucleobases. Base modifications have the potential to lend insight into the mechanism of gene silencing and to lead to novel methods to overcome off-target effects that arise due to deleterious protein binding or mis-targeting of mRNA.

Journal of Organic Chemistry published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, HPLC of Formula: 608-34-4.

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

Herbich, Jerzy published the artcileModification of the intramolecular electron transfer by hydrogen bonding: 4-(dialkylamino)pyrimidines, Formula: C6H9N3, the publication is Journal of Luminescence (1992), 54(3), 165-75, database is CAplus.

The dual fluorescence (a and b) and the picosecond kinetics of the twisted intramol. charge transfer (TICT) state formation in 4-(dialkylamino)pyrimidines were studied in polar solvents. In nitriles as solvents, 2 emitting states of 4-(N,N-dimethylamino)pyrimidine or 4-(N,N-diethylamino)pyrimidine reached equilibrium within 20 ps. In alcs. the TICT emission a is attributed to the species hydrogen-bonded at the ring atom N1. The decay of the short wave fluorescence b is clearly multi- or non-exponential; it is assigned to several other complexes, some of which decay fast, not being simply kinetically coupled with the emitting form a. The nature of the fast deactivation channel appearing in alcs. as solvents is discussed taking into account the Mataga-Kakitani discrimination of the Marcus inverted regions for the charge recombination and charge shift electron transfer.

Journal of Luminescence 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

Firouzeh, Ebrahim published the artcileVisible photosensitized sonogashira-hagihara coupling through in situ prepared palladium catalyst in N,N-dimethylformamide under copper and amine-free additives, Application In Synthesis of 174456-28-1, the publication is Journal of Photochemistry and Photobiology, A: Chemistry (2022), 114002, database is CAplus.

In this study, copper and amine-free photosensitized Sonogashira-Hagihara coupling reaction using Pd(OAc)₂ and p-nitrobenzophenone in N,N-dimethylformamide(DMF) under blue LED irradiation was reported. Effect of benzophenone, p-methoxybenzophenone and p-nitrobenzophenone as photosensitizers in Sonogashira-Hagihara reaction were studied in which higher yields were achieved using p-nitrobenzophenone. In situ preparation of palladium nanoparticles and the effect of p-nitrobenzophenone were confirmed using UV-Vis and dynamic light scattering (DLS). It was proposed that the DMF affected the formation and stabilization of palladium nanoparticles. Using this catalytic system, aryl iodides and bromides were reacted efficiently with alkynes between 25 and 60°C.

Journal of Photochemistry and Photobiology, A: Chemistry published new progress about 174456-28-1. 174456-28-1 belongs to pyrimidines, auxiliary class Pyrimidine,Alkynyl,Alcohol, name is 3-(Pyrimidin-5-yl)prop-2-yn-1-ol, and the molecular formula is C7H6N2O, Application In Synthesis of 174456-28-1.

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

Sako, Magoichi published the artcileReductive Cleavage of Heteroaryl C-Halogen Bonds by Iodotrimethylsilane. Facile and Regioselective Dechlorination of Antibiotic Pyrrolnitrin, Product Details of C5H6N2O2, the publication is Journal of Organic Chemistry (2001), 66(10), 3610-3612, database is CAplus and MEDLINE.

The authors describe regioselective dechlorination of antibiotic pyrrolnitrin (I) via reductive cleavage of heteroaryl C-halogen bonds by iodotrimethylsilane. Reductive cleavage of the C-halo bond proceeds smoothly, efficiently and chemoselectively even under mild conditions with halo uridines and pyrimidines.

Journal of Organic Chemistry published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Product Details of C5H6N2O2.

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

Almeida, D. published the artcileN-site de-methylation in pyrimidine bases as studied by low energy electrons and ab initio calculations, Computed Properties of 608-34-4, the publication is Physical Chemistry Chemical Physics (2013), 15(27), 11431-11440, database is CAplus and MEDLINE.

Electron transfer and dissociative electron attachment to 3-methyluracil (3meU) and 1-methylthymine (1meT) yielding anion formation were studied in atom-mol. collision and electron attachment experiments, resp. The former was studied in the collision energy range 14-100 eV whereas the latter in the 0-15 eV incident electron energy range. In the present studies, emphasis is given to the reaction channel resulting in the loss of the Me group from the N-sites with the extra charge located on the pyrimidine ring. This particular reaction channel has neither been approached in the context of dissociative electron attachment nor in atom-mol. collisions yet. Quantum chem. calculations were performed to provide some insight into the dissociation mechanism involved along the N-CH₃ bond reaction coordinate. The calculations provide support to the threshold value derived from the electron transfer measurements, allowing for a better understanding of the role of the potassium cation as a stabilizing agent in the collision complex. The present comparative study gives insight into the dynamics of the decaying transient anion and more precisely into the competition between dissociation and auto-detachment.

Physical Chemistry Chemical Physics published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Computed Properties of 608-34-4.

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