Category: 1194-22-5

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Structure-Activity Relationships of a Series of Pyrrolo[3,2-d]pyrimidine Derivatives and Related Compounds as Neuropeptide Y5 Receptor Antagonists.Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

Neuropeptide Y (NPY) has been shown to play an important role in the regulation of food intake and energy balance. Pharmacol. data suggests that the Y5 receptor subtype contributes to the effects of NPY on appetite, and therefore a Y5 antagonist might be a useful therapeutic agent for the treatment of obesity. In attempts to identify potential Y5 antagonists, a series of pyrrolo[3,2-d]pyrimidine derivatives was prepared and evaluated for their ability to bind to Y5 receptors in vitro. The authors report here the synthesis and initial structure-activity relation investigations for this class of compounds The target compounds were prepared by a variety of synthetic routes designed to modify both the substitution and the heterocyclic core of the pyrrolo[3,2-d]pyrimidine lead compound (I). In addition to identifying several potent Y5 antagonists for evaluation as potential antiobesity agents, a pharmacophore model for the human Y5 receptor is presented.

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Porter, A. E. A.; Sammes, Peter G. published an article about the compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one( cas:1194-22-5,SMILESS:CC1=NC(=CC(N1)=O)O ).Computed Properties of C5H6N2O2. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:1194-22-5) through the article.

The adducts I and II are prepared from III and IV and the dienophiles, MeO2CCCCO2Me and norbornadiene, resp. Brevianamide A, previously isolated from Penicillium brevi-compactum [Birch, J. A. and Wright, J. J. (1969)], may be obtained in nature by a similar process.

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 1194-22-5, is researched, Molecular C5H6N2O2, about Structure of 4,6-dihydroxypyrimidine derivatives studied by infrared spectra, the main research direction is pyrimidines hydroxy IR; IR hydroxypyrimidines.Quality Control of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

Ir spectra of 4,6-dihydroxypyrimidine derivatives were studied in the 1500-1800-cm.-1 region, in order to determine which tautomers are present in each case. Model compounds, with fixed structures were taken as references. 4,6-Dimethoxypyrimidine (I) has the fixed enol structure, and its ir bands at 1595 and 1555 cm.-1 correspond to ring vibrations. 1-Methyl-5-methoxy-6-pyrimidin-one (II) has both enol and keto forms fixed; it shows a strong band (1673 cm.-1 in Me2SO and 1660 cm.-1 in D2O) which is ascribed to the C:O stretching vibration. Weaker bands (1605 and 1550 cm.-1 in Me2SO, and 1603 and 1550 cm.-1 in D2O) are ascribed to the ring. 5,5-Diethyl-2-phenyl-4,6-pyrimidinedione (III), with partially fixed structure, can have 2 tautomeric forms. In Me2SO 2 C:O bands are seen at 1728 and 1682 cm.-1, and the diketo form is ascribed. IV, (R = Me), the structure of which was proven, has 2 carbonyls. One C:O band only can be expected, as for ionized carboxyl groups. Three bands are seen instead, in solution, and 2 of them should be ascribed to the ring vibrations. Potentially tautomeric compounds (14) were investigated in Me2SO and D2O solutions, and in the solid state. In Me2SO all the compounds have a strong C:O band at 1690-1660 cm.-1 and some other weaker bands, ascribed to ring and N-H bending frequencies, as for fixed enol and keto forms of II. The frequency of the C:O band depends on the nature of the substituent in position 5 on the ring; it is 1660 cm.-1 for 5-Me, 1658 for Ph, 1667 for H, 1672 for OPh, 1673 for Cl, 1673 for Br, and 1690 for NO2. The spectrum of 4,6-dihydroxypyrimidine (V), its mono-N-methyl-, 5-, and 2-methyl-substituted derivatives show 3 bands at 1675, 1648, and 1560 cm.-1 as does IV; the same type of spectra are given by the N-methyl-, 5-methyl-, and 2-methyl-substituted derivatives of V, showing that they exist in the bipolar form IV. The C:O band of the compounds in the solid state are wide and it is difficult to ascribe any form by comparing with the spectra of model compounds but the N-H bending frequencies are easy to ascribe, compared with the spectra of the corresponding deuterated compounds All the compounds may be divided in 2 groups: the 1st, with N-H bending frequencies of 1700-1640 cm.-1 includes V and its 2- and 5-methylsubstituted compounds; the 2nd with N-H bending frequencies of 1600-1560 cm.-1, as for 4-methoxy-6-hydroxypyrimidine, include compounds having electroneg. substituents such as Ph, Br, and NO2, in the 5 position of the ring. The higher N-H bending frequencies of the 1st group as compared with the frequency for the fixed structures II is explained by bipolar structure type IV. 5-Phenyl-, 5-bromo-, and 5-nitro-4,6-dihydroxypyrimidines exist in the keto and enol forms of II, or in the diketo form of III. The diketo form ascribed to 5-Br- and 5-NO2-substituted compounds is not final, because 2 bands could appear by splitting of the C:O band in II caused by intermol. interactions, in the crystals.

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Oxazolidine – Wikipedia,
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Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about On the Synthesis of 1,1-Diamino-2,2-dinitroethene (FOX-7) by Nitration of 4,6-Dihydroxy-2-methylpyrimidine. Author is Latypov, Nikolaj V.; Johansson, Martin; Holmgren, Erik; Sizova, Ekaterina V.; Sizov, Vladimir V.; Bellamy, Anthony J..

The synthesis of 1,1-diamino-2,2-dinitroethene (FOX-7) by nitration of 4,6-dihydroxy-2-methylpyrimidine and hydrolysis of the resulting intermediate 2-dinitromethylene-5,5-dinitropyrimidine-4,6-dione was studied. By varying the reaction parameters the optimal conditions for the synthesis of FOX-7 were identified and gave a >90% yield of the pure product. The optimized process allowed the spent acid to be recycled without loss of yield, with almost stoichiometric consumption of HNO3. The purity of the FOX-7 was determined by using a newly developed HPLC method.

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Application of 1194-22-5. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Influence of some derivatives and isomers of uracil, cytosine, and isocytosine on the growth of transplantable tumors. Author is Aksamitnaya, I. A..

5-Hydroxy-4-methyluracil, 4,5-dihydrouracil, 6-thiouracil, 6-thio-4-methyluracil, 2-methyl-4,6-dihydroxypyrimidine, or 4-amino-6-hydroxypyrimidine at 100-200 mg./ml. suppressed tumor growth by 9-32%, while 6-thiothymine and Na 4-methyl-5-sulfoisocytosine stimulated tumor growth by 33 and 41%, resp., in mice implanted with sarcoma 180 cells. 4-Amino-6-hydroxypyrimidine inhibited and Na 4-methyl-5-sulfoisocytosine stimulated growth of Ehrlich ascites tumors in mice. Thymine, 4-methyluracil, 4-methyl-4,5-dihydrouracil, 4-methylisocytosine, and 4-methyl-5-aminoisocytosine did not affect tumor growth in mice.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Infrared spectra of derivatives of pyrimidine》. Authors are Short, L. N.; Thompson, H. W..The article about the compound:6-Hydroxy-2-methylpyrimidin-4(3H)-onecas:1194-22-5,SMILESS:CC1=NC(=CC(N1)=O)O).Name: 6-Hydroxy-2-methylpyrimidin-4(3H)-one. Through the article, more information about this compound (cas:1194-22-5) is conveyed.

Graphs of the vibrational spectra between 2 and 25 μ are given for the following compounds suspended as solids in paraffin or perfluorokerosine, and for the deuterio derivatives of the starred compounds (deuteriated by treatment with D2O): pyrimidine, monosubstituted pyrimidines: 2-Cl-, 2-NH*2-, 5-NH2-2-OH-*, 4-OH-*, 2-SH-*; 2,4-disubstituted pyrimidines: Cl2-, (OEt)2, (OPh)2, 2-Cl-4-NH2-*, (OH)2-*, 2-OH-4-NH2-*, (NH2)2-(SH)2-*, 2-SH-4-NH2-, 2(-)SH-4-OH-*; 4,6-disubstituted pyrimidines: 4-NH2-6-Cl-*, 4-OH-6-Me-, (OH)2-, 4-OH-6NH2-*, (NH2)2-*, 2,4,6-trisubstituted pyrimidines: Cl3-, 2-Me-4,6-Cl2-, 2-NH2-4,6-Me*2-2-NH2-4,6-(OMe)2-, 2-NH2-4,6-Cl2-, 2-NH2-4-Me-6-OEt-*, 2-NH2-4-Me-6-Cl-*, 2,6-Cl2-4-NH2-, 2-Cl-4-NH2-6-Me-, 2,6-Me2-4-NH2-*, 2-Me-4-NH2-6-Cl-, 2-NHMe-4-Me-6-Cl-, 2,6-Me2-4-OH-, 2,4-(OH)2-6-Me-, 2-Me-4,6-(OH)2-, (OH)3-, 2-NH2-4-OH-6-Me-*, 2-NMe2-4-OH-6-Me-*, 2-NH2-4-OH-6-Cl-, 2-SMe-4-OH-6-NH2-, 2-Me-4-OH-6-NH2-*, (NH2)3-, 2,4-(OH)2-6-NH2-, 2-NH2-4,6-(OH)2-, 2,4-(NH2)2-6-OH, 2-OH-4,6-(NH2)2-, 2-SH-4-OH-6-Me-, 2-SH-4-OH-6-NH2-, 2-NH2-4-Me-6-CONH2-, 2-NH2-4-Me-6-CN-; also the 4-NH2-5-Ph-*, 2,4-(OH)2-5-NO2-, 4,6-(NH2)2-5-Br-, 2-Me-4,6-(OMe)2-5-NO2-, 2-Me-4,6-(OMe)2-5-NH2-, 2-SEt-4-OH-5-Et-6-Me-, 1,4-Me2-2-SMe-6-O-, 1,3-Me2-2,4-O2-, 2-NH2-3-Et-4-Me-6-O-, and 1-Et-2-NH2-4-Me-6-O- pyrimidine derivatives In the OH and NH2 pyrimidines with or without other substituents around the ring, the main regions connected with the possibility of tautomerism are at 6 μ and 3 μ. Since ambiguities occur in both these regions, exact frequency assignments are difficult to make. The spectra are highly characteristic with sharp bands and might be used for analysis and identification. The spectral evidence suggests a ketonic structure for simple 2-OH and 4-OH derivatives and probably a diketonic form for 2,4-(OH)2 derivatives In 4,6-dihydroxypyrimidine one CO and one OH group may be present. NH2-substituents are probably not tautomerized and have the character of an amido group. The electronic effects of different substituents may influence the tautomerism and the amount of H-bonding. These conclusions do not agree in some respects with those of Brownlie (C.A. 45, 2778d).

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Oxazolidine – Wikipedia,
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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Reaction of oxide radical ion (O·-) with substituted pyrimidines, published in 2002-06-30, which mentions a compound: 1194-22-5, mainly applied to reaction oxide radical substituted pyrimidine oxidizing radical electron transfer; pulse radiolysis reaction oxide radical substituted pyrimidine, Formula: C5H6N2O2.

Pulse radiolysis technique has been used to investigate the reaction of oxide radical ion (O·-) with 4,6-dihydroxy-2-Me pyrimidine (DHMP), 2,4-dimethyl-6-hydroxy pyrimidine (DMHP), 5,6-di-Me uracil (DMU) and 6-Me uracil (MU) in strongly alk. medium. The second-order rate constants for the reaction of O·- with these compounds are in the range 2-5 × 108 dm3 mol-1 s-1. The transient absorption spectra obtained with DHMP have two maxima at 290 and 370 nm and with DMHP have maxima at 310 and 470 nm. The transient spectrum from DMU is characterized by its absorption maxima at 310 and 520 nm and that of MU by its single maximum at 425 nm. The intermediate species were found to react with N,N,N’,N’-tetramethyl-p-phenylenediamine (TMPD) with high G(TMPD·+) values ranged between 3.9 × 10-7 mol J-1 and 4.8 × 10-7 mol J-1. These radicals undergo decay by second-order kinetics (2k/ε = 1.0-1.7 × 106 s-1). The reaction of O·- with the selected pyrimidines is proposed to proceed through a hydrogen abstraction from the Me group forming allyl type radicals. These are mainly oxidizing radicals and hence readily undergo electron transfer reactions with TMPD.

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COA of Formula: C5H6N2O2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Synthesis of some potential high energy materials using metal nitrates; an approach towards environmental benign process. Author is Saikia, Ananta; Sivabalan, Renganathan; Gore, Girish M.; Sikder, Arun K..

A novel and efficient method for the synthesis of various promising high energy materials (HEMs) like nitrotriazolone (NTO), 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20), bis (2,2-dinitropropyl)nitramine (BDNPN), 1,1-diamino-2,2-dinitroethylene (FOX-7) etc. using metal nitrates/sulfuric acid as nitrating agent has been described successfully. The synthesized materials have been characterized using various spectroscopic techniques as well as thermal studies and the data obtained confirmed their structure. From the study it was revealed that this method certainly an alternative method of preparation of high energy materials (HEMs) in place of the conventional nitration mixture

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, International Annual Conference of ICT called Calorimetric and theoretical investigation of heat effects and reaction kinetics for nitration of 2-methyl-4,6-dihydroxy-pyrimidine, Author is Chylek, Zbigniew; Trzcinski, Waldemar A., which mentions a compound: 1194-22-5, SMILESS is CC1=NC(=CC(N1)=O)O, Molecular C5H6N2O2, HPLC of Formula: 1194-22-5.

The thermal effects accompanying the process of nitration of 2-methyl-4,6-dihydroxy-pyrimidine (other names in use: 2-methylpyrimidine-4,6-dione, MPD) were investigated. Measurements were performed using a differential reaction calorimeter (DRC). The heat of solution of MPD in concentrated sulfuric acid (95%), the heat of mixing of nitric acid (100%) with sulfuric acid (95%) and the heat effect of nitration of MDP in a mixture of nitric and sulfuric acids were measured. Anal. of literature data and the research results allowed to propose the model and math. formulation of the problem of the nitration of MPD. The model was used to simulate phenomena and reactions running in DRC. The exptl. data were compared with modeling results. The parameters of the rate constants of reactions running in DRC were determined

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one( cas:1194-22-5 ) is researched.Formula: C5H6N2O2.Prasanthkumar, Kavanal P.; Mohan, Hari; Pramod, Gopinathan; Suresh, Cherumuttathu H.; Aravindakumar, Charuvila T. published the article 《Anomalous reaction of oxide radical ion with 5-azacytosines: An experimental and theoretical study》 about this compound( cas:1194-22-5 ) in Chemical Physics Letters. Keywords: anomalous reaction oxide radical ion azacytosine pulse radiolysis. Let’s learn more about this compound (cas:1194-22-5).

The reactions of oxide radical ion (·O-) with 5-azacytosine (5AC) and 5-azacytidine (5ACyd) in aqueous medium were studied using the pulse radiolysis technique and quantum chem. calculation using d. functional theory (DFT). It is demonstrated that the major reaction pathway is the addition of ·O- to the ring nitrogen of 5AC, followed by a fast protonation of adducts by water. Only a minor percentage (<18%) undergoes an electron transfer reaction. The similarity in the reaction mechanism of ·O- (addition to azacytosine) and ·OH (which generally participates in an addition reaction) is an interesting observation and is quite unusual in the case of heterocyclic compounds Compound(1194-22-5)Formula: C5H6N2O2 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(6-Hydroxy-2-methylpyrimidin-4(3H)-one), if you are interested, you can check out my other related articles.

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