Tag: M.W:100-200

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 1-(Furan-2-yl)propan-1-one( cas:3194-15-8 ) is researched.Category: benzoxazole.Paravisini, Laurianne; Prot, Aurelie; Gouttefangeas, Cecile; Moretton, Cedric; Nigay, Henri; Dacremont, Catherine; Guichard, Elisabeth published the article 《Characterisation of the volatile fraction of aromatic caramel using heart-cutting multidimensional gas chromatography》 about this compound( cas:3194-15-8 ) in Food Chemistry. Keywords: caramel cooking aroma volatile furan lactone acid; Caramel; Heart-cutting multidimensional gas chromatography (MDGC); Mass Spectrometry; Odorant compounds; Olfactometry. Let’s learn more about this compound (cas:3194-15-8).

The first aim of the study was to improve characterization of the volatile fraction of aromatic caramel by applying heart-cutting multidimensional gas chromatog. coupled to mass spectrometry and olfactometry (MDGC-MS-O) on targeted odorant fractions. The second aim was to compare the volatile composition of two caramel samples, which differed in terms of their carbohydrate composition and cooking process. MDGC analyses enabled identification of 37 compounds (17 with the addition of pure standard) in the burnt sugar caramel, 20 of which were reported for the first time in caramel. Fifteen compounds were identified as odor-active and described using a range of attributes such as floral, roasted, spicy and almond. Furans, lactones and acids resulting from the thermal breakdown of sugars predominated in the volatile fraction of the burnt sugar caramel, due to the harsher cooking conditions. These results have enabled a clearer understanding of aromatic caramel as well as the identification of new compounds which might make an important contribution to its aroma.

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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.Robinson, Anthony L.; Boss, Paul K.; Heymann, Hildegarde; Solomon, Peter S.; Trengove, Robert D. researched the compound: 1-(Furan-2-yl)propan-1-one( cas:3194-15-8 ).Application of 3194-15-8.They published the article 《Development of a sensitive non-targeted method for characterizing the wine volatile profile using headspace solid-phase microextraction comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry》 about this compound( cas:3194-15-8 ) in Journal of Chromatography A. Keywords: wine flavor headspace solid microextraction GC MS. We’ll tell you more about this compound (cas:3194-15-8).

Future understanding of differences in the composition and sensory attributes of wines require improved anal. methods which allow the monitoring of a large number of volatiles including those present at low concentrations This study presents the optimization and application of a headspace solid-phase microextraction (HS-SPME) method for anal. of wine volatiles by comprehensive two-dimensional gas chromatog. (GC × GC) time-of-flight mass spectrometry (TOFMS). This study demonstrates an important advancement in wine volatile anal. as the method allows for the simultaneous anal. of a significantly larger number of compounds found in the wine headspace compared to other current single dimensional GC-MS methodologies. The methodol. allowed for the simultaneous anal. of over 350 different tentatively identified volatile and semi-volatile compounds found in the wine headspace. These included potent aroma compound classes such as monoterpenes, norisoprenoids, sesquiterpenes, and alkyl-methoxypyrazines which have been documented to contribute to wine aroma. It is intended that wine aroma research and wine sensory research will utilize this non-targeted method to assess compositional differences in the wine volatile profile.

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Computed Properties of C8H8N2S. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Mercapto-5-methylbenzimidazole, is researched, Molecular C8H8N2S, CAS is 27231-36-3, about Toxicity Study of a Rubber Antioxidant, Mixture of 2-Mercaptomethylbenzimidazoles, by Repeated Oral Administration to Rats. Author is Saitoh, M.; Umemura, T.; Kawasaki, Y.; Momma, J.; Matsushima, Y.; Sakemi, K.; Isama, K.; Kitajima, S.; Ogawa, Y.; Hasegawa, R.; Suzuki, T.; Hayashi, M.; Inoue, T.; Ohno, Y.; Sofuni, T.; Kurokawa, Y.; Tsuda, M..

2-Mercaptobenzimidazole (2-MBI), a rubber antioxidant, is known to exhibit potent antithyroid toxicity in rats and is a candidate as an environmental endocrine disrupter. 2-Mercaptomethylbenzimidazoles (a 1:1 mixture of 4-Me and 5-Me isomers, MMBIs), are also employed industrially as rubber antioxidants and are suspected to exert antithyroid toxicity such as 2-MBI. In this investigation, acute and subacute oral toxicity studies of MMBIs in Wistar rats were conducted. The clin. signs of acute oral toxicity were observed including decreased spontaneous movement, a paralytic gait, salivation and lacrimation, and adoption of prone and lateral positions. The LD50 was estimated to be 330 mg/kg. In the subacute oral toxicity study, male and female rats were treated with MMBIs by gavage at doses of 0 (corn oil), 4, 20 and 100 mg/kg for 28 consecutive days followed by a 2-wk recovery period for the control and highest dose groups. Body weight and food consumption, clin. signs, organ weights, clin. biochem. and hematol. parameters including clotting times and micronuclei induction in bone marrow erythropoietic cells, and histopathol. were examined Relative organ weights of lung, liver and kidney, and serum cholesterol and phospholipid significantly increased in male rats treated with MMBIs at doses of 20 and 100 mg/kg. Male rats administered 100 mg/kg MMBIs exhibited a 1.8-fold increase in thyroid weight associated with histopathol. changes but not altered serum thyroid hormone levels. Female rats administered 100 mg MMBIs/kg exhibited significant increases of liver and kidney but not thyroid weights, and serum cholesterol level. The antithyroid toxicity of MMBIs in rats was estimated to be one-tenth that of 2-MBI. No-observed-effect levels for male and female rats were found to be 4 and 20 mg/kg, resp., in this subacute oral toxicity study.

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Benzoxazole – Wikipedia,
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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Analysis of the N.M.R. spectrum of phenylethane-1,2-dithiol》. Authors are Forbes, J. W.; Jungnickel, J. L..The article about the compound:1-(Furan-2-yl)propan-1-onecas:3194-15-8,SMILESS:O=C(C1=CC=CO1)CC).Formula: C7H8O2. Through the article, more information about this compound (cas:3194-15-8) is conveyed.

The N.M.R. spectrum of phenylethane-1,2-dithiol has been analyzed completely (except for the aromatic protons) by Reilly’s new computer program MARIPI which is based on the Swalen and Reilly (CA 57, 14612f) programs NMRIT and NMRENI. The geminal coupling constant, J34, was assumed to be neg. in accord with the recent theoretical and experimental evidence on the signs of (H,H) coupling constants. The magnitudes of the two vicinal H-C-C-H coupling constants, J35 and J45, indicate that the molecule exists primarily in the two forms with gauche-trans arrangements of the hydrogen atoms on these carbon atoms. The H-C-S-H coupling constants, J13, J14, and J25, can be either pos. or neg. in sign; however, a pos. sign is favored in line with the -, +, – pattern of sign-alternation for (H,H) coupling across 2, 3, and 4 bonds. The long-range coupling constants, J15, J23, and J24, are small and probably neg. The very long-range coupling between the S-H protons, J12, is too small to be determined

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Benzoxazole – Wikipedia,
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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The acylation of furan and thiophene with aliphatic anhydrides in the presence of boron trifluoride etherate》. Authors are Heid, John V.; Levine, Robert.The article about the compound:1-(Furan-2-yl)propan-1-onecas:3194-15-8,SMILESS:O=C(C1=CC=CO1)CC).Recommanded Product: 3194-15-8. Through the article, more information about this compound (cas:3194-15-8) is conveyed.

The best yields (77%) of 2-acetylfuran, b6 45-8°, were obtained when 14 g. of redistilled BF3.Et2O was added all at once to 68 g. (1 mol.) furan and 123 g. (1.15 mols.) 95% Ac2O at 0°, the mixture stirred at room temperature 0.5 hr., hydrolyzed with 200 ml. H2O, and the product isolated in the usual way. In a similar manner, 81% 2-propionylfuran, b6 61-3°, 93% 2-butyrylfuran, b7 76-8°, 73% 2-acetylthiophene, b7 80-1°, 79% 2-propionylthiophene, b6 88-9° (semicarbazone m. 172.5-3.5°), and 89% 2-butyrylthiophene, b4 96°, were obtained. A possible reaction mechanism is proposed.

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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: 2-Mercapto-5-methylbenzimidazole( cas:27231-36-3 ) is researched.Name: 2-Mercapto-5-methylbenzimidazole.Aslanidis, P.; Hadjikakou, S. K.; Karagiannidis, P.; Kojic-Prodic, B.; Luic, M. published the article 《Preparation and spectral studies of dinuclear mixed-ligand copper(I) complexes. The crystal structure of bis[μ-S(pyridine-2-thione)(tmtp)copper(I) bromide]》 about this compound( cas:27231-36-3 ) in Polyhedron. Keywords: crystal structure copper pyridinethione dinuclear complex; structure copper pyridinethione tolylphosphine dinuclear complex; copper thione tolylphosphine bromo dinuclear complex. Let’s learn more about this compound (cas:27231-36-3).

[Cu(tmtp)Br]n (tmtp = tri-m-tolylphosphine) reacts with heterocyclic thiones (L) [L = pyridine-2-thione (py2SH), 1,3-thiazolidine-2-thione (tzdtH), benz-1,3-imidazoline-2-thione (bzimtH2), benz-1,3-thiazoline-2-thione (bztzdtH), imidazoline-2-thione (imtH), benz-1,3-oxazoline-2-thione (bzoxtH2), 5-nitrobenz-1,3-imidazoline-2-thione (nbzimtH2), and 5-methylbenz-1,3-imidazoline-2-thione (mebzimtH2)] to give binuclear [Cu(tmtp)(L)Br]2. These complexes were characterized by various spectroscopic methods. The crystal structure of the pyridine-2-thione complex was determined by single-crystal x-ray diffraction methods. The mol. contains a planar Cu2S2 moiety with Cu-S bond lengths of 2.3348(9) and 2.4879(7) Å. The Cu-Br and Cu-P distances are 2.4929(1) and 2.2525(4) Å, resp., whereas the Cu…Cu separation is 2.6906(1) Å.

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Benzoxazole – Wikipedia,
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Aslanidis, P.; Cox, P. J.; Divanidis, S.; Karagiannidis, P. published the article 《Copper(I) halide complexes from cis-1,2-bis(diphenylphosphino) ethylene and some heterocyclic thiones》. Keywords: copper ethenediphosphine heterocyclic thione halo preparation; crystal structure copper ethenediphosphine triazolethione pyrimidinethione.They researched the compound: 2-Mercapto-5-methylbenzimidazole( cas:27231-36-3 ).Application In Synthesis of 2-Mercapto-5-methylbenzimidazole. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:27231-36-3) here.

Reaction of Cu(I) chloride or bromide with equimolar amounts of diphos (dppet), cis-1,2-bis(diphenylphosphino)ethylene and one of the heterocyclic thiones (L) pyridine-2-thione, pyrimidine-2-thione, 5-methyl-1,3,4-thiadiazole-2-thione, 4-methyl-5-trifluoromethyl-1,2,4-triazole-3-thione, benzoxazole-2-thione, or 5-methylbenzimidazole-2-thione in MeCN/MeOH afforded mononuclear complexes [CuX(dppet)(L)] with the diphosphine ligand acting as a chelating ligand. However, the same reaction carried out at higher temperatures proceeds, in some cases, with exclusion of the phosphine ligand from the coordination sphere leading to double-S-bridged dimers. In contrast, Cu(I) iodide under the same conditions gave the thione-free dimeric compound [CuI(dppet)]2 which contains double-bridging I atoms. A notable exception was for the reaction with 5-methyl-1,3,4-thiadiazole-2-thione (mtdztH) which, under the same conditions, gave rise to the unexpected, simultaneous formation of the monomer [CuI(dppet)(MeCN)] as well as the above mentioned dimeric [CuI(dppet)]2. Also treatment [CuX(dppet)(L)] with two equivalent of PPh3 was found to cause replacement of the diphos ligand, while substitution of the Cl atom under HCl elimination and formation of [Cu(dppet)(mftztH)2] occurred in the unique case of treating [CuCl(dppet)(mftztH)] with one addnl. equivalent of the same thione ligand. The structures of one representative for each of the above mentioned types of complexes, [CuBr(dppet)(mftztH)], [Cu(dppet)(mftztH)2], [Cu(μ-I)(dppet)]2·[CuI(dppet)(MeCN)] and [CuBr{μ-S(pymtH)}(pymtH)]2 were established by single-crystal x-ray diffraction.

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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: 1-(Furan-2-yl)propan-1-one, is researched, Molecular C7H8O2, CAS is 3194-15-8, about Solid phase extraction in combination with comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry for the detailed investigation of volatiles in South African red wines.Application In Synthesis of 1-(Furan-2-yl)propan-1-one.

Comprehensive two-dimensional gas chromatog. in combination with time-of-flight mass spectrometry (GC × GC-TOFMS) has been applied for the anal. of volatile compounds in three young South African red wines. In spite of the significant benefits offered by GC × GC-TOFMS for the separation and identification of volatiles in such a complex matrix, previous results utilizing headspace solid phase micro extraction (HS-SPME) demonstrated certain limitations. These were primarily associated with the choice of sample preparation technique, which failed to extract some influential semi-volatile wine constituents. Therefore, in the current report, we utilized solid phase extraction (SPE) in combination with GC × GC-TOFMS for the detailed investigation of particularly low-level semi-volatiles in South African wine. 214 Compounds previously reported in grapes and related beverages were tentatively identified based on mass spectral data and retention indexes, while 62 addnl. compounds were pos. identified using authentic standards The method proved particularly beneficial for the anal. of terpenes, lactones and volatile phenols, and allowed us to report the presence of numerous volatile compounds for the first time in Pinotage wines.

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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.Li, Zhen; Fang, Chengtao; Zheng, Yannan; Qiu, Guanyinsheng; Li, Xiaofang; Zhou, Hongwei researched the compound: 2-Ethylbenzo[d]oxazole( cas:6797-13-3 ).Synthetic Route of C9H9NO.They published the article 《Multicatalytic Beckmann rearrangement of 2-hydroxylarylketone oxime: Switchable synthesis of benzo[d]oxazoles and N-(2-hydroxylaryl)amides》 about this compound( cas:6797-13-3 ) in Tetrahedron Letters. Keywords: hydroxybenzene ketoxime organocatalyst zinc chloride catalyst Beckmann rearrangement; benzoxazole preparation; hydroxyaryl amide preparation. We’ll tell you more about this compound (cas:6797-13-3).

A switchable synthesis route was developed for benzo[d]oxazole derivatives and (2-hydroxylaryl)benzamide from 2-hydroxylbenzeneketoxime using organomols. (BOP-Cl, and CNC) and Lewis acid cocatalyzed Beckmann rearrangement (BR) reaction. Further, this reaction was switched using different organocatalysts.

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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: 6797-13-3, is researched, SMILESS is CCC1=NC2=CC=CC=C2O1, Molecular C9H9NOJournal, European Journal of Organic Chemistry called Facile and Efficient Synthesis of Benzoxazoles and Benzimidazoles: the Application of Hantzsch Ester 1,4-Dihydropyridines in Reductive Cyclization Reactions, Author is Xing, Rui-Guang; Li, Ya-Nan; Liu, Qiang; Meng, Qing-Yuan; Li, Jing; Shen, Xiao-Xia; Liu, Zhengang; Zhou, Bo; Yao, Xiaojun; Liu, Zhong-Li, the main research direction is benzoxazole preparation; benzimidazole preparation; nitrophenyl amide reductive cyclization palladium Hantzsch ester.Product Details of 6797-13-3.

Benzoxazoles and benzimidazoles were efficiently synthesized by the reaction of functionalized ortho-substituted nitrophenyl esters or amides catalyzed by Pd/C in presence of Hantzsch ester (HEH). Especially, working in the presence of the same substituents, benzimidazoles could be obtained in higher yields with respect to the corresponding benzoxazoles. Moreover, in the present work, the recycling of Pd/C was studied and was shown to maintain its high catalytic activity over five runs. On the basis of our exptl. results and DFT calculations, a plausible reaction mechanism was proposed.

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