Pyrimidines

Slyvka, Natalia; Gevaza, Yuri; Saliyeva, Lesya published an article in 2018, the title of the article was Electrophilic Intramolecular Cyclization of 1-(N-alkenyl)-6-methylpyrimidine-2,4-diones.Recommanded Product: 626-48-2 And the article contains the following content:

N-allyl(cinnamyl)substituted derivatives of 6-methyluracil I (R = H, C6H5) were synthesized. The reactions of their bromo- and iodocyclization were performed which led to the formation of the derivatives of dihydrooxazolopyrimidinium II·X (R1 = Br, I; X = Br3-, I3-) and dihydrooxazinepyrimidinium III·X (R1 = Br, I; X = Br3-, I3-; R2 = H, cinnamyl). The factors that favor the regioselectivity of these reactions were suggested. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Recommanded Product: 626-48-2

The Article related to oxazolopyrimidinium salt preparation regioselective, methyl pyrimidine dione alkenyl halocyclization, oxazinepyrimidinium salt preparation regioselective, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Recommanded Product: 626-48-2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On March 4, 2022, Li, Jian; Li, Jiaming; He, Runfa; Liu, Jiasheng; Liu, Yang; Chen, Lu; Huang, Yubing; Li, Yibiao published an article.Related Products of 160377-42-4 The title of the article was Selective Synthesis of Substituted Pyridines and Pyrimidines through Cascade Annulation of Isopropene Derivatives. And the article contained the following:

Diverse substituted pyridines I (R = H, Me; R1 = n-Bu, thiophen-2-yl, 4-chlorophenyl, etc.) and pyrimidines II with high selectivity were obtained using a concise and efficient protocol. The reaction proceeds via metal-free cascade annulation of isopropene derivatives R1C(=CH2)CH2R. Using isopropene derivatives as C3 synthons, NH4I as the “N” source, and formaldehyde or DMSO as the carbon source, this reaction realizes the efficient formation of intermol. C-N and C-C bonds. The experimental process involved the reaction of 5-(4-Bromophenyl)pyrimidine(cas: 160377-42-4).Related Products of 160377-42-4

The Article related to methylpyridine preparation, pyrimidine preparation, isopropene formaldehyde tandem heterocyclization, dimethyl sulfoxide isopropene tandem heterocyclization, Heterocyclic Compounds (More Than One Hetero Atom): Pyrimidines and Quinazolines and other aspects.Related Products of 160377-42-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On November 1, 2013, Lukmanov, Timur; Ivanov, Sergey P.; Khamitov, Edward M.; Khursan, Sergey L. published an article.SDS of cas: 626-48-2 The title of the article was Relative stability of keto-enol tautomers in 5,6-substituted uracils: Ab initio, DFT and PCM study. And the article contained the following:

The relative stability orders in the tautomers of uracil and its derivatives (5-fluorouracil, 5-chlorouracil, 5-aminouracil, 5-hydroxyuracil, 5-methyluracil, 6-methyluracil, 5-hydroxy-6-methyluracil and 5-amino-6-methyluracil) were established using composite (G3MP2B3) and DFT (TPSS) methods. The stability orders were determined both in the gas phase and water solutions, taking into account specific and non-specific hydration. The primary solvation shell of uracils was modeled as a complex of a tautomer with 5 water mols. An anal. of the factors which determine the stability of the enol forms of uracils was performed. The most important factor was found to be changes in the intramol. conjugation at tautomerization. As was shown by the NBO anal., the stabilization energy due to the nN → π* (or σ*) interaction in the diketo tautomer is lost in the enol forms, but is partially compensated by an increase in the conjugation length. The effect of the substituent in the fifth position of the pyrimidine ring on the energy of tautomers is less prominent. It was shown that the hydration energy considerably differs for tautomers, and leads to substantial redistribution in the stability series of uracil tautomers. Both specific and non-specific solvation are of vital importance for stabilization of tautomers. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).SDS of cas: 626-48-2

The Article related to uracil keto enol tautomer relative stability, Physical Organic Chemistry: Acid-Base, Tautomerism, and Other Equilibrium Studies and other aspects.SDS of cas: 626-48-2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On July 8, 2015, Wang, Guidong; Song, Rui published a patent.SDS of cas: 23256-42-0 The title of the patent was A kind of composite saponification cutting fluid. And the patent contained the following:

The invention discloses a kind of composite saponification cutting fluid, which is made up of the following raw materials by weight parts: oleic acid 2-3, trimethoprim lactate 0.1-0.2, Na myristate 3-5, p-nitrophenol 0.2-0.4, castor oil polyoxyethylene ether 0.1-0.2, KOH 0.3-0.5, glyceryl carboxylate 0.2-0.3, polyethylene glycol diglycidyl ether 5-7, raw silk 10-13, polymaleic anhydride 10-16, Span 80 0.8-2, and deionized H2O 170-200. The preparation method includes the following steps: (1) adding raw silk to 0.4-0.6% Na carbonate solution, soaking at 98-100° for 60-80 min, filtrating, drying, mixing with trimethoprim lactate, grinding, adding Span-80, deionized H2O, stirring, adding polyethylene glycol diglycidyl ether, mixing and ultrasonic treating for 30-35 min, obtaining fibroin emulsion; (2) taking KOH, adding deionized H2O, stirring, adding oleic acid, heating to 70-80°C, adding Na myristate and p-nitrophenol, insulating and reacting for 30-40 min, obtaining composite saponification liquid; (3) mixing the fibroin emulsion with polymaleic anhydride, standing at 65-70°C for 30-40 min, adding composite saponification liquid, stirring for 10-16 min, obtaining antirust blended emulsion; (4) mixing the antirust blended emulsion with the residual raw materials, stirring for 20-30 min, obtaining cutting fluid. The composite saponification liquor added in cutting fluid of the present invention has excellent extreme pressure and antiwear behavior, can provide long lasting abrasion and corrosion protection. The experimental process involved the reaction of 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine 2-hydroxypropanoate(cas: 23256-42-0).SDS of cas: 23256-42-0

The Article related to composite saponification cutting fluid lubricating oil additive, Fossil Fuels, Derivatives, and Related Products: Lubricants and Functional Fluids and other aspects.SDS of cas: 23256-42-0

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On March 6, 2018, Yu, Haobo; He, Yang; Chen, Changfeng; Yu, Yanzhao; Jiang, Ruijing published a patent.HPLC of Formula: 23256-42-0 The title of the patent was Preparation method of antibacterial corrosion inhibitor for oil field water treatment system. And the patent contained the following:

The title antibacterial corrosion inhibitor is prepared from (by weight) dodecyldimethylbenzylammonium halide (dodecyldimethylbenzylammonium chloride and/or dodecyldimethylbenzylammonium bromide) 5-60%, antibacterial synergistic agent (trimethoprim and/or trimethoprim lactate) 0.5-5%, surfactant (nonyl phenol polyoxyethylene ether and/or octyl phenol polyoxyethylene ether) 10-30%, buffer (sodium hydrogen phosphate and/or sodium dihydrogen phosphate) 3-10% and water in balance by mixing. The antibacterial corrosion inhibitor has high sterilization efficiency to sulfate reducing bacteria (SRB) and saprophytic bacteria (TGB), and has the advantages of long-acting drug effect, no drug resistance, simple production process and low cost as well as good corrosion inhibition effect on CO2 corrosion. The experimental process involved the reaction of 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diamine 2-hydroxypropanoate(cas: 23256-42-0).HPLC of Formula: 23256-42-0

The Article related to oil field water treatment system antibacterial corrosion inhibitor, Fossil Fuels, Derivatives, and Related Products: Lubricants and Functional Fluids and other aspects.HPLC of Formula: 23256-42-0

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui published an article in 2013, the title of the article was Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π-π interactions.Synthetic Route of 160377-42-4 And the article contains the following content:

Co-crystallization of asym. building blocks 5-(4-pyridyl)pyrimidine (A) and 5-(4-(1-imidazolyl)phenyl)pyrimidine (B) with resorcinol and hydroquinone, resp., was studied. Four new organic co-crystals (1-4) were generated. The x-ray single crystal anal. indicates that the crystal packing in 1, 2 and 4 generates open hexagonal channels with resorcinol or hydroquinone mols. encapsulated through hydrogen bonding interactions. In 3, {B2(resorcinol)2} macrocycle is generated from clip-like resorcinol and asym. B mols. The luminescent properties of A, B and 1-4 were studied primarily in the solid state. The luminescent property is dependent on the mol. vertical arranging disposition and the intermol. π-π contacting characteristic. The results display more interesting tunability of the emission intensity of the building modules by the incorporation of coformers into the co-crystals. The experimental process involved the reaction of 5-(4-Bromophenyl)pyrimidine(cas: 160377-42-4).Synthetic Route of 160377-42-4

The Article related to preparation structure luminescence cobalt crystal hexagonal arranging disposition, Physical Organic Chemistry: Acid-Base, Tautomerism, and Other Equilibrium Studies and other aspects.Synthetic Route of 160377-42-4

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On May 31, 2016, Amaral, Luisa M. P. F.; Szterner, Piotr; Morais, Victor M. F.; Ribeiro da Silva, Maria D. M. C.; Ribeiro da Silva, Manuel A. V. published an article.Name: 6-Methylpyrimidine-2,4(1H,3H)-dione The title of the article was Experimental and computational thermochemical studies of 6-azauracil derivatives. And the article contained the following:

The standard (p° = 0.1 MPa) molar enthalpies of formation, in the crystalline phase, of 6-azauracil, 6-azathymine and 6-aza-2-thiothymine at T = 298.15 K, were derived from the standard molar energies of combustion, in oxygen, measured by combustion calorimetry. The standard molar enthalpies of sublimation, at T = 298.15 K, were measured by high temperature Calvet microcalorimetry. For 6-azauracil, the standard molar enthalpy of sublimation, at T = 298.15 K, was determined from the temperature-vapor pressure dependence, obtained by the Knudsen mass-loss effusion method.From the exptl. studies, the standard molar enthalpies of formation, in the gaseous phase, at T = 298.15 K, of the 6-azauracil, 6-azathymine and 6-aza-2-thiothymine were derived. The gas-phase enthalpies of formation were also estimated by G3 and G4 calculations which were further extended to the computation of the standard molar enthalpy of formation of 6-aza-2-thiouracil. We compare the values obtained computationally with the exptl. data available and find a good agreement between them. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Name: 6-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to azauracil derivative computational thermochemics, Thermodynamics, Thermochemistry, and Thermal Properties: Thermochemical Properties and other aspects.Name: 6-Methylpyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On January 10, 2013, Notario, Rafael; Emel’yanenko, Vladimir N.; Roux, Maria Victoria; Ros, Francisco; Verevkin, Sergey P.; Chickos, James S.; Liebman, Joel F. published an article.Name: 6-Methylpyrimidine-2,4(1H,3H)-dione The title of the article was Thermochemistry of Uracils. Experimental and Computational Enthalpies of Formation of 5,6-Dimethyl-, 1,3,5-Trimethyl-, and 1,3,5,6-Tetramethyluracils. And the article contained the following:

An exptl. and computational study of three methylated uracils, in particular, the 5,6-dimethyl-, 1,3,5-trimethyl-, and 1,3,5,6-tetra-Me derivatives are presented. The values of the standard (p0 = 0.1 MPa) molar enthalpies of formation in the gas phase at T = 298.15 K have been determined The energies of combustion were measured by static bomb combustion calorimetry, and from the results obtained, the standard molar enthalpies of formation in the crystalline state at T = 298.15 K were calculated The enthalpies of sublimation were determined using the transpiration method in a saturated N2 stream. Values of -(376.2 ± 2.6), -(355.9 ± 3.0), and -(381.7 ± 2.8) kJ·mol-1 for the gas-phase enthalpies of formation at T = 298.15 K of 5,6-dimethyluracil, 1,3,5-trimethyluracil, and 1,3,5,6-tetramethyluracil, resp., were obtained from the exptl. thermochem. study. An extended theor. study with the G3 and the G4 quantum-chem. methods has been carried out for all the possible methylated uracils. There is very good agreement between exptl. and calculated enthalpies of formation for the three derivatives studied. A Free-Wilson anal. on G4-calculated enthalpies of formation has been carried out, and the contribution of methylation in the different positions of the uracil ring has been estimated The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Name: 6-Methylpyrimidine-2,4(1H,3H)-dione

The Article related to enthalpy combustion sublimation formation methyluracil exptl theory, Thermodynamics, Thermochemistry, and Thermal Properties: Thermochemical Properties and other aspects.Name: 6-Methylpyrimidine-2,4(1H,3H)-dione

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Zhao, Meili; Wang, Lintong; Song, Mingjun published an article in 2012, the title of the article was The influence of a pharmaceutical intermediate on BZ oscillating reaction.COA of Formula: C5H6N2O2 And the article contains the following content:

Because there are cyclical phenomenons in lives so that the influence of the medicine on oscillating reaction is becoming a hotspot. The author prepares a pharmaceutical intermediate. It is 2,6-dihydroxy-4-methylpyrimidine. In this paper the influence of the pharmaceutical intermediate on BZ oscillation system have been studied at different temperature and different concentration For instance, dropping the concentration of 0.01mol/L pharmaceutical intermediate before and after, apparent activation energy E and E’ of the systems are 68094J/mol and 71786J/mol. Higher temperature and higher concentration, oscillating cycles and amplitude are lower. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).COA of Formula: C5H6N2O2

The Article related to temperature dihydroxy methylpyrimidine belousov zhabotinsky oscillating reaction, Catalysis, Reaction Kinetics, and Inorganic Reaction Mechanisms: Reaction Kinetics and other aspects.COA of Formula: C5H6N2O2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

On January 10, 2017, Ren, Sijin; Harms, Joseph; Caricato, Marco published an article.Recommanded Product: 626-48-2 The title of the article was An EOM-CCSD-PCM Benchmark for Electronic Excitation Energies of Solvated Molecules. And the article contained the following:

In this work, we benchmark the equation of motion coupled cluster with single and double excitations (EOM-CCSD) method combined with the polarizable continuum model (PCM) for the calculation of electronic excitation energies of solvated mols. EOM-CCSD is one of the most accurate methods for computing one-electron excitation energies, and accounting for the solvent effect on this property is a key challenge. PCM is one of the most widely employed solvation models due to its adaptability to virtually any solute and its efficient implementation with d. functional theory methods (DFT). Our goal in this work is to evaluate the reliability of EOM-CCSD-PCM, especially compared to time-dependent DFT-PCM (TDDFT-PCM). Comparisons between calculated and exptl. excitation energies show that EOM-CCSD-PCM consistently overestimates exptl. results by 0.4-0.5 eV, which is larger than the expected EOM-CCSD error in vacuo. We attribute this decrease in accuracy to the approximated solvation model. Thus, we investigate a particularly important source of error: the lack of H-bonding interactions in PCM. We show that this issue can be addressed by computing an energy shift, ΔHB, from bare-PCM to microsolvation + PCM at DFT level. Our results show that such a shift is independent of the functional used, contrary to the absolute value of the excitation energy. Hence, we suggest an efficient protocol where the EOM-CCSD-PCM transition energy is corrected by ΔHB(DFT), which consistently improves the agreement with the exptl. measurements. The experimental process involved the reaction of 6-Methylpyrimidine-2,4(1H,3H)-dione(cas: 626-48-2).Recommanded Product: 626-48-2

The Article related to benchmark electronic excitation energy solvated mol polarizable continuum model, equation motion coupled cluster single double excitation, Phase Equilibriums, Chemical Equilibriums, and Solutions: Nonelectrolytic Solutions and other aspects.Recommanded Product: 626-48-2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia