Category: 1194-22-5

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one(SMILESS: CC1=NC(=CC(N1)=O)O,cas:1194-22-5) is researched.Related Products of 67914-60-7. The article 《The unimolecular chemistry of protonated and deprotonated 2,2-dinitroethene-1,1-diamine (FOX-7) studied by tandem mass spectrometry and computational chemistry》 in relation to this compound, is published in European Journal of Mass Spectrometry. Let’s take a look at the latest research on this compound (cas:1194-22-5).

2,2-Dinitroethene-1,1-diamine (FOX-7) was studied by means of electrospray ionization (ESI) and chem. ionization (CI) mass spectrometry in both pos. and neg. ion mode. Detailed mechanisms of unimol. fragmentations of protonated and deprotonated FOX-7 were investigated using high- and low-energy collision-induced dissociation (CID) mass spectrometry, neutral fragment reionization mass spectrometry and quantum chem. calculations In deprotonated FOX-7, elimination of the carbodiimide mol. was identified as the energetically most favored fragmentation channel, closely resembling the base hydrolysis of FOX-7. The dinitromethanide ion is formed during this fragmentation as revealed by comparison with CID mass spectra of an isobaric ion prepared by the ESI of authentic sodium dinitromethanide. The proton affinity of FOX-7 was estimated as 855 kJ mol-1 by high-accuracy quantum chem. calculations This value corresponds to protonation at the C-2 position, though the oxygen-protonated tautomer was found to be nearly isoenergetic in the gas phase. In acetonitrile, the nitro group-protonated FOX-7 was found to be significantly less stable than its C-2 tautomer. These theor. findings are clearly reflected in differences in fragmentations of ESI- and CI-generated [M + H]+ ions. Interestingly, the consecutive losses of OH• and NO2• radicals instead of a whole HNO3 mol. were found to account for the most abundant fragment ion in the pos. ESI CID mass spectra. In the CI-generated [M + H]+ and [M + D]+ ions, substantial internal energy effects upon the CID were observed

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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, European Journal of Inorganic Chemistry called A Luminescent Rhenium(I) Metallacycle with Oxygen and Nitrogen Donor Atoms: Photophysical and Theoretical Studies, Author is Bhattacharya, Dibyendu, which mentions a compound: 1194-22-5, SMILESS is CC1=NC(=CC(N1)=O)O, Molecular C5H6N2O2, Quality Control of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

A new N,O-bischelator-bridged dirhenium(I) metallacycle, [Re2(CO)6(μ-η4-mpdo)(dpe)] (1, H2mpdo = 2-methylpyrimidine-4,6-diol, dpe = 1,2-di-4-pyridylethane) was self-assembled in a one-pot reaction in p-xylene at 140°. Compound 1 displays unusual multiple phosphorescence emissions at room temperature; an emission quantum yield of 0.26 ± 0.03 and triexponential decay with an average radiative decay constant of 0.052 μs (λmax = 342 nm) were determined These results as well as those of DFT/TDDFT calculations confirmed the nature of the emitting states.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 1194-22-5, is researched, SMILESS is CC1=NC(=CC(N1)=O)O, Molecular C5H6N2O2Journal, European Journal of Organic Chemistry called Synthesis, Characterization, and Properties of Energetic Compounds Based on a CH2-Bridged Dinitromethyl Explosophore, Author is Huang, Haifeng; Shi, Yameng; Yu, Yao; Yang, Jun, the main research direction is energetic salt TNP thermal stability detonation performance formation heat.Recommanded Product: 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

A series of energetic salts based on the 1,1,3,3-tetranitropropane-1,3-diide (TNP) dianion have been prepared and fully characterized by NMR and IR spectroscopy, elemental anal., and single-crystal X-ray diffraction. Their thermal stability (Td = 111.0-180.9 °C) and sensitivities to mech. stimuli (IS = 2-5 J; FS = 80-128 N) have been measured. Addnl., their heats of formation (-369.8 to 347.1 kJ mol-1) and detonation performances (P = 25.0-37.0 GPa; vD = 7675-9104 m s-1) have been calculated

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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 Calorimetric and theoretical investigation of heat effects and reaction kinetics for nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP), published in 2012-09-30, which mentions a compound: 1194-22-5, mainly applied to calorimetric theor heat kinetics nitration methyldihydroxypyrimidine MDP, COA of Formula: C5H6N2O2.

The thermal effects accompanying the process of nitration of 2-methyl-4,6-dihydroxypyrimidine (MDP) were studied. Measurements were performed using a reaction calorimeter DRC Evolution delivered by Setaram. The heat of solution of MDP in concentrated sulfuric acid (95%), the heat of mixing of nitric acid (100%) with sulfuric acid (95%) and the heating effect of nitration of MDP in a mixture of nitric and sulfuric acids were measured. The heat of solution of MDP was 95 ± 3 kj/mol, while the total heat effect of nitration MDP was 392 ± 9 kj/mol. The measured heat of solution of acids was 34 ± 2 kJ/mol HNO3. Anal. of literature data and own research allowed us to propose the model of kinetics for nitration of MDP. The model was used to simulate phenomena and reactions running in the reaction calorimeter. The exptl. data were compared with modeling results. The parameters of the rate constants of reactions running in the calorimeter were determined as a model for preparation of 1,1-diamino-2,2-dinitroethene (DADNE).

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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.Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.Wu, Yiwen; Mei, Heshan; Zhang, Zhongmin; Lu, Xinying; Yan, Tingren published the article 《Synthesis of antihypertensive moxonidine》 about this compound( cas:1194-22-5 ) in Zhongguo Yaowu Huaxue Zazhi. Keywords: moxonidine preparation antihypertensive. Let’s learn more about this compound (cas:1194-22-5).

Moxonidine was synthesized from acetamidine hydrochloride by cyclizing with di-Et malonate in the presence of Na ethoxide under refluxing for 3 h, nitrifying, chlorinating with POCl3, reducing with Fe/HCl, adding and hydrogenating with 1-acetyl-2-imidazolidone, and methanolysis. The overall yield was 24.8%. The yield of chlorination was 92.8% by using phosphorus oxychloride as the chlorinating agent. The yield of reduction was 87.7% by using iron powder as the reductant and steam distillation as separation method.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Quality Control of 6-Hydroxy-2-methylpyrimidin-4(3H)-one. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Reaction kinetics and process optimization for nitration of 2-methyl-4,6-dihydroxy-pyrimidine.

1,1-Diamino-2,2-dinitroethene (FOX-7) is a thermally stable insensitive high explosive. Fox-7 is synthesized by nitration of 2-methyl-4,6-dihydroxy-pyrimidine (MDP). Nitration of MDP is a low temperature and highly exothermic reaction. Adiabatic rise in temperature of this nitration reaction is very high (> 220°) which indicates that the conduct of reactions at lowest possible optimum temperature is safer and favorable. In order to optimize the reaction time without compromising yield, the reaction kinetics were studied at three different temperatures (5, 15, and 25°) using differential method. The effect of temperature on yield (%) of FOX-7 was also studied at two more addnl. temperatures, 35 & 42°. Since the nitration of MDP is sensitive to temperature, rate of reaction was studied at fixed temperature with the variation of time keeping all the other parameters constant In the present studies, it is found that optimum temperature of nitration is 15° and rate of reaction follows pseudo second order with a rate constant 0.0338 (min-1) (concentration-1). The reaction time evaluated for 85% conversion is around 1.8 h at 15° based on the kinetics, which resembles to calorimetric studies too. Activation energy of MDP nitration is found to be 42 kJ/mol, using reaction kinetic data based on temperature dependent rate equation derived from the Arrhenius’s law. Heat generation rate increases with the increase of reaction temperature

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Name: 6-Hydroxy-2-methylpyrimidin-4(3H)-one. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Electrochemical study of catechols in the presence of 4,6-dihydroxy-2-methylpyrimidine. Author is Fakhari, Ali Reza; Nematollahi, Davood; Moghaddam, Abdolmajid Bayandori.

Electrochem. oxidation of catechol, 3-methylcatechol, and 3-methoxycatechol was studied in the presence of 4,6-dihydroxy-2-methylpyrimidine (I) as a nucleophile in aqueous solution using cyclic voltammetry and controlled-potential coulometry. The quinones derived from the catechols participate in Michael addition reactions with I to form the corresponding benzofuro[2,3-d]pyrimidine derivatives (II). The electrochem. synthesis of II was successfully performed in an undivided cell in good yield and purity. The mechanism of oxidation was deduced from voltammetric data and by coulometry at controlled-potential. The products were characterized after purification by IR, 1H NMR, 13C NMR and MS.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

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.Recommanded Product: 6-Hydroxy-2-methylpyrimidin-4(3H)-one.Chen, Lei-xiang; Deng, Sheng-song; Guan, Qiu-xiang; Gu, Lei-ming published the article 《Synthesis and process research of 4,6-dichloro-2-methylpyrimidine》 about this compound( cas:1194-22-5 ) in Anhui Huagong. Keywords: acetamidine hydrochloride dimethyl malonate synthesis. Let’s learn more about this compound (cas:1194-22-5).

4,6-Dichloro-2-methylpyrimidine is an important intermediate of synthetic anticancer drug dasatinib. 4,6-Dichloro-2-methylpyrimidine was synthesized from acetamidine hydrochloride and di-Me malonate via the cyclization and chlorination with phosphorus oxychloride. The optimal conditions of synthesis of 4,6-dihydroxy-2-methyipyrimidine were investigated by orthogonal test. They were: n(acetamidine hydrochloride)/n (sodium methoxide)=1:3.4, in methanol at 20°C for 4h, the yield of 4, 6-dihydroxy-2-methylpyrimidine was 85.76%. The optimal conditions of chlorination with phosphorus oxychloride were investigated by orthogonal test. They were: n (N,N-diethyl-Benzenamine)/n (4,6-dihydroxy-2-methylpyrimidine)=2:1, in phosphorus oxychloride at 105°C for 4 h, the yield of 4,6-dichloro-2-methylpyrimidine was 69.55%, the yield of two-steps was 59.65%.

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 1194-22-5, is researched, SMILESS is CC1=NC(=CC(N1)=O)O, Molecular C5H6N2O2Journal, Russian Journal of Applied Chemistry called Synthesis of 5-dinitromethyltetrazole, Author is Shastin, A. V.; Korsunskii, B. L.; Godovikova, T. I.; Lodygina, V. P., the main research direction is diamino dinitroethylene hydrazine hydrate condensation; amidrazone hydrazinium salt preparation heterocyclization sodium nitrite; dinitromethyl tetrazole thermal stability energetic.Reference of 6-Hydroxy-2-methylpyrimidin-4(3H)-one.

A convenient method of synthesizing 5-dinitromethyltetrazole (I) via condensation of 1,1-diamino-2,2-dinitroethylene with hydrazine hydrate followed by sodium nitrite-mediated heterocyclization of the intermediate amidrazone hydrazinium salt, was developed. This method thus avoids the intermediate isolation of the explosive amidrazone itself.

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Reference:
Oxazolidine – Wikipedia,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 6-Hydroxy-2-methylpyrimidin-4(3H)-one, is researched, Molecular C5H6N2O2, CAS is 1194-22-5, about Synthesis, molecular modeling and biological activity of methyl and thiomethyl substituted pyrimidines as corticotropin releasing hormone type 1 antagonists, the main research direction is methyl thiomethyl substituted pyrimidine preparation mol modeling biol activity; corticotropin releasing hormone antagonist methyl thiomethyl substituted pyrimidine.Formula: C5H6N2O2.

Four small, targeted libraries of differentially substituted amino pyrimidines were synthesized in moderate to good yields. Excellent regiochem. was observed for substitution at C2/C4 with selectivity >50 : 1 noted. All analogs were screened for their ability to interact with CRH1 and CRH2 receptors. In all instances only poor agonistic and/or antagonistic behavior was noted at CRH2. However, several compounds were potent and selective CRH1 antagonists, most notably one compound showed Ki = 39 nM. Addnl. we have utilized these data and that recently reported by others to refine our original CRH1 pharmacophore (J. Med. Chem., 1999, 42, 2351-2357).

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Reference:
Oxazolidine – Wikipedia,
Oxazolidine | C3H7NO – PubChem