Day: April 6, 2022

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Preparation of 5-hydroxy-4,6-dimethyl-3-pyridinemethanol (4-deoxypyridoxine) by the use of hydrazine》. Authors are Taborsky, Robert G..The article about the compound:5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloridecas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl).Related Products of 148-51-6. Through the article, more information about this compound (cas:148-51-6) is conveyed.

2-Methyl-3-hydroxy-4-methoxymethyl-5-hydroxymethylpyridine-HCl (10 g.) and 50 ml. 95% N2H4 refluxed 18 hrs., most of the N2H4 removed in vacuo, and the residue extracted with 60 ml. refluxing MeOH yielded N2H4.HCl, m. 91-2°. The volume of the filtrate reduced to 20 ml., 15 ml. 11.2% MeOH-HCl added, the precipitate isolated, and 50 ml. Et2O added gave a further precipitate The total yield was 8.1 g. 2-methyl-3-hydroxy-4-methyl-5-hydroxymethylpyridine-HCl (I), m. 273° (decomposition). All conditions and isolation procedures were as above except that instead of the 4-Me ether, 5 g. pyridoxine-HCl and 25 ml. 95% N2H4 were used to give 98% I.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Reference of 5-Methylfuran-2(3H)-one. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5-Methylfuran-2(3H)-one, is researched, Molecular C5H6O2, CAS is 591-12-8, about Transfer Hydrogenation of Methyl and Ethyl Levulinate Promoted by a ZrO2 Catalyst: Comparison of Batch vs. Continuous Gas-Flow Conditions. Author is Tabanelli, Tommaso; Paone, Emilia; Blair Vasquez, Paola; Pietropaolo, Rosario; Cavani, Fabrizio; Mauriello, Francesco.

The catalytic conversion of Me and Et levulinates into γ-valerolactone (GVL) by using methanol, ethanol, and 2-propanol as the H-donor/solvent, promoted by the ZrO2 catalyst, is described as carried out under both batch and gas-flow conditions. Under batch conditions, 2-propanol was found to be the best H-donor mol., with Et levulinate giving the highest yield in GVL. The reactions occurring under continuous gas-flow conditions were found to be much more efficient, also showing excellent yields in GVL when EtOH was used as the reducing agent. These experiments clearly show that the ability to release hydrogen from the alc. H-donor/solvent is the main factor driving CTH processes, while the tendency to attack the esteric group is the key step in the formation of transesterification products.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ) is researched.Category: pyrimidines.Dohnal, Vladimir; Rehak, Karel; Moravek, Pavel published the article 《Thermal and Volumetric Properties of Five Lactones at Infinite Dilution in Water》 about this compound( cas:591-12-8 ) in Journal of Chemical & Engineering Data. Keywords: thermal volumetric property lactone infinite dilution water. Let’s learn more about this compound (cas:591-12-8).

Mixing enthalpies and densities of highly dilute aqueous solutions of five lactones (namely γ-butyrolactone (GBL), γ-valerolactone (GVL), α-angelica lactone (AAL), γ-hexalactone (GHL), and δ-hexalactone (DHL)) were measured as a function of solution composition at several temperatures in the range from (288.15 to 318.15) K using a tandem flow arrangement of isothermal mixing microcalorimeter and vibrating-tube densimeter. The densities of the neat lactones were measured, also. The dissolution of the lactones in water was exothermic (except for AAL at higher temperatures) and accompanied by volume contraction. On the basis of these systematic measurements, reliable values of partial molar excess enthalpy, partial molar volume, and partial molar excess volume of the studied solutes at infinite dilution in water were determined Precision of our measurements allowed us to evaluate with a good accuracy also resp. temperature derivative properties, i.e., infinite dilution partial molar excess heat capacity, expansion, and excess expansion. The observed thermodn. behavior was governed by hydrogen bonding of water mols. to the oxygen atoms of the lactone group. Several structural effects like those of the alkylation of lactone ring, its enlargement, the introduction of the double bond, and the lactone mol. volume on the determined properties were identified and rationalized on the mol. level.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Experimental and modeling studies on the Ru/C catalyzed levulinic acid hydrogenation to γ-valerolactone in packed bed microreactors, published in 2020-11-01, which mentions a compound: 591-12-8, Name is 5-Methylfuran-2(3H)-one, Molecular C5H6O2, Electric Literature of C5H6O2.

The hydrogenation of levulinic acid (LA) to γ-valerolactone (GVL) was performed in perfluoroalkoxy alkane capillary microreactors packed with a carbon-supported ruthenium (Ru/C) catalyst with an average particle diameter of 0.3 or 0.45 mm. The reaction was executed under an upstream gas-liquid slug flow with 1,4-dioxane as the solvent and H2 as the hydrogen donor in the gas phase. Operating conditions (i.e., flow rate and gas to liquid flow ratio, pressure, temperature and catalyst particle size) were varied in the microreactor to determine the influence of mass transfer and kinetic characteristics on the reaction performance. At 130°C, 12 bar H2 and a weight hourly space velocity of the liquid feed (WHSV) of 3.0 gfeed/(gcat·h), 100% LA conversion and 84% GVL yield were obtained. Under the conditions tested (70-130°C and 9-15 bar) the reaction rate was affected by mass transfer, given the notable effect of the mixture flow rate and catalyst particle size on the LA conversion and GVL yield at a certain WHSV. A microreactor model was developed by considering gas-liquid-solid mass transfer therein and the reaction kinetics estimated from the literature correlations and data. This model well describes the measured LA conversion for varying operating conditions, provided that the internal diffusion and kinetic rates were not considered rate limiting. Liquid-solid mass transfer of hydrogen towards the external catalyst surface was thus found dominant in most experiments The developed model can aid in the further optimization of the Ru/C catalyzed levulinic acid hydrogenation in packed bed microreactors.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Formula: C4H7BrO3. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 2-Bromo-3-methoxypropanoic acid, is researched, Molecular C4H7BrO3, CAS is 65090-78-0, about Tailored Synthesis of Skeletally Diverse Stemona Alkaloids through Chemoselective Dyotropic Rearrangements of β-Lactones. Author is Guo, Zhen; Bao, Ruiyang; Li, Yuanhe; Li, Yunshan; Zhang, Jingyang; Tang, Yefeng.

The collective synthesis of skeletally diverse Stemona alkaloids featuring tailored dyotropic rearrangements of β-lactones as key elements is described. Specifically, three typical 5/7/5 tricyclic skeletons associated with stemoamide, tuberostemospiroline and parvistemonine were first accessed through chemoselective dyotropic rearrangements of β-lactones involving alkyl, hydrogen, and aryl migration, resp. By the rational manipulation of substrate structures and reaction conditions, these dyotropic rearrangements proceeded with excellent efficiency, good chemoselectivity and high stereospecificity. Furthermore, several polycyclic Stemona alkaloids, including saxorumamide, isosaxorumamide, stemonine and bisdehydroneostemoninine (I – IV, resp.), were obtained from the aforementioned tricyclic skeletons through late-stage derivatizations. A novel visible-light photoredox-catalyzed formal [3+2] cycloaddition was also developed, which offers a valuable tool for accessing oxaspirobutenolide and related scaffolds.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Preparation of o-dialkylbenzene》. Authors are Ogawa, Masaya; Tanaka, Giichi.The article about the compound:5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloridecas:148-51-6,SMILESS:OC1=C(C)C(CO)=CN=C1C.[H]Cl).SDS of cas: 148-51-6. Through the article, more information about this compound (cas:148-51-6) is conveyed.

1-Butyl-1-cyclohexene (45 g.) was oxidized 2 h. below 45° with 275 g. 80% HCO2H and with 50 g. 30% H2O2, the mixture neutralized and extracted with EtOAc, and the extract distilled to give 26 g. 1-butyl-l,2-cyclohexanediol (I), b2 115-18°. I (10 g.) in 50 cc. EtOH refluxed 30 min. with 0.5 cc. H2SO4, and the mixture distilled gave 4 g. 2-butylcyclohexanone (II), b7 76-8°. II was also prepared (51%) starting with 2-chlorocyclohexanone. II (0.5 mol) and 1 mol RMgX mixed at 0°, refluxed 5-7 h. at 30-5°, and distilled gave the following 1-alkyl-2-butylcyclohexanol (III) (alkyl, b.p./mm., d20, nD20, and % yield given): Bu, 115-17°/3.5, 0.8989, 1.4679, 43.2; octyl, 155-7°/4, 0.8850, 1.4683, 40; dodecyl, 184-5°/1, -, -, 37.4 (m. 46.5-7.5°). III heated 5 h. on oil bath with iodine and the product washed with 1% aqueous Na2S2O3 and distilled gave the following 1-alkyl-2-butyl-l-cyclohexenes (IV) (alkyl, b.p./mm., d20, nD20, and % yield given): Bu, 82-5°/3, 0.8410, 1.4635, 68.5; octyl, 148-51°/6, 0.8407, 1.4654, 85; dodecyl, 161-5°/1, 0.8407, 1.4654, 82.1. The IV were dehydrogenated over Pd-C at 220-80° to give the following 1-alkyl-2-butylbenzene (alkyl, b.p., d20, nD20, and % yield given): Bu, 256-7°, 0.8553, 1.4826, 57; octyl, 305-7°, 0.8570, 1.4827, 69; dodecyl, 358-9°, 0.8579, 1.4820, 46.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(SMILESS: OC1=C(C)C(CO)=CN=C1C.[H]Cl,cas:148-51-6) is researched.Safety of 4-(Pyridin-2-yl)benzoic acid. The article 《Phosphorescence characteristics of several antimetabolites》 in relation to this compound, is published in Talanta. Let’s take a look at the latest research on this compound (cas:148-51-6).

Phosphorescence excitation and emission wavelength peaks, lifetimes, limits of detection, and concentration ranges of anal. usefulness of 37 antimetabolites in rigid (77°K.) ethanolic solution were determined Seventeen of the metabolites produced anal. useful phosphorescence, whereas the remaining 20 were of limited or no anal. use.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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: 591-12-8, is researched, SMILESS is O=C1OC(C)=CC1, Molecular C5H6O2Journal, Yancao Keji called Online analysis of aerosol components of heated tobacco products by GC-MS, Author is Deng, Ting; Tuo, Suxing; Yang, Huawu; Du, Wen; Chen, Bo; Yin, Xinqiang; Huang, Ping; Deng, Changjian; Gong, Shuguo; Lu, Hongmei; Tan, Xinliang; Zhong, Kejun, the main research direction is aerosol heated tobacco product GC MS.Electric Literature of C5H6O2.

In order to study the chem. composition of aerosols from heated tobacco products (HTPs) and to investigate the puff-by-puff release characteristics of aerosols from HTP samples, an online sampling device for HTP aerosols was developed by adopting a valve injection technique. Using this technique, HTP aerosols were directly introduced into gas chromatog.-mass spectrometry (GC-MS) by carrier gas (helium) through an inline heating transmission line without sample loss. The results showed that the online HTP aerosol anal. system had a stable performance and good reproducibility. The contents of acetone and 2-butanone determined in the aerosols of sample A by this method was in good accordance with the results reported by literature. With the proceeding of puffing, the releases of acetone and 2-butanone from the aerosols of sample B increased first and then decreased. This method is simple, efficient and suitable for the online anal. of the whole aerosols of HTPs and the puff-by-puff release characteristics of HTP aerosols.

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 5-Methylfuran-2(3H)-one( cas:591-12-8 ) is researched.Product Details of 591-12-8.Howe, Alexander G. R.; Maunder, Rhodri; Morgan, David J.; Edwards, Jennifer K. published the article 《Rapid microwave-assisted polyol synthesis of TiO2-supported ruthenium catalysts for levulinic acid hydrogenation》 about this compound( cas:591-12-8 ) in Catalysts. Keywords: titania ruthenium catalyst levulinic acid hydrogenation microwaveassisted polyol method. Let’s learn more about this compound (cas:591-12-8).

One wt% Ru/TiO2 catalysts prepared by a one-pot microwave-assisted polyol method have been shown to be highly active for Levulinic acid hydrogenation to γ-Valerolactone. Preparation temperature, microwave irradiation time and choice of Ru precursor were found to have a significant effect on catalyst activity. In the case of Ru(acac)3-derived catalysts, increasing temperature and longer irradiation times increased catalyst activity to a maximum LA conversion of 69%. Conversely, for catalysts prepared using RuCl3, shorter preparation times and lower temperatures yielded more active catalysts, with a maximum LA conversion of 67%. Catalysts prepared using either precursor were found to contain highly dispersed nanoparticles <3 nm in diameter XPS anal. of the most and least active catalysts shows that the catalyst surface is covered in a layer of insoluble carbon with surface concentrations exceeding 40% in some cases. This can be attributed to the formation of large condensation oligomers from the reaction between the solvent, ethylene glycol and its oxidation products, as evidenced by the presence of C-O and C = O functionality on the catalyst surface. If you want to learn more about this compound(5-Methylfuran-2(3H)-one)Product Details of 591-12-8, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(591-12-8).

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Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Biosynthesis of Pseudomonas-Derived Butenolides, published in 2020, which mentions a compound: 591-12-8, Name is 5-Methylfuran-2(3H)-one, Molecular C5H6O2, Safety of 5-Methylfuran-2(3H)-one.

Butenolides are well-known signaling mols. in Gram-pos. bacteria. Here, we describe a novel class of butenolides isolated from a Gram-neg. Pseudomonas strain, the styrolides. Structure elucidation was aided by the total synthesis of styrolide A. Transposon mutagenesis enabled us to identify the styrolide biosynthetic gene cluster, and by using a homol. search, we discovered the related and previously unknown acaterin biosynthetic gene cluster in another Pseudomonas species. Mutagenesis, heterologous expression, and identification of key shunt and intermediate products were crucial to propose a biosynthetic pathway for both Pseudomonas-derived butenolides. The Whole Genome Shotgun project for P. fluorescens HKI0874 has been deposited at DDBJ/ENA/GenBank under the accession VCNJ00000000.

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Reference:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia