Month: April 2022

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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Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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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Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Thapa, Pawan; Byrnes, Nicholas K.; Denisenko, Alena A.; Mao, James X.; McDonald, Austin D.; Newhouse, Charleston A.; Vuong, Thanh T.; Woodruff, Katherine; Nam, Kwangho; Nygren, David R.; Jones, Benjamin J. P.; Foss, Frank W. Jr. published an article about the compound: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane( cas:33941-15-0,SMILESS:O1CCOCCOCCOCCOCCNCC1 ).Recommanded Product: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane. 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:33941-15-0) through the article.

Single-mol. fluorescence imaging (SMFI) of gas-phase ions has been proposed for “”barium tagging,”” a burgeoning area of research in particle physics to detect individual barium daughter ions. This has potential to significantly enhance the sensitivity of searches for neutrinoless double-beta decay (0νββ) that is obscured by background radiation events. The chem. required to make such sensitive detection of Ba2+ by SMFI in dry Xe gas at solid interfaces has implications for solid-phase detection methods but has not been demonstrated. Here, we synthesized simple, robust, and effective Ba2+-selective chemosensors capable of function within ultrapure high-pressure 136Xe gas. Turn-on fluorescent naphthalimide-(di)azacrown ether chemosensors were Ba2+-selective and achieved SMFI in a polyacrylamide matrix. Fluorescence and NMR experiments supported a photoinduced electron transfer mechanism for turn-on sensing. Ba2+ selectivity was achieved with computational calculations correctly predicting the fluorescence responses of sensors to barium, mercury, and potassium ions. With these mols., dry-phase single-Ba2+ ion imaging with turn-on fluorescence was realized using an oil-free microscopy technique for the first time-a significant advance toward single-Ba2+ ion detection within large volumes of 136Xe, plausibly enabling a background-independent technique to search for the hypothetical process of 0νββ.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Product Details of 503538-69-0. 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: (R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole, is researched, Molecular C38H24F4O4P2, CAS is 503538-69-0, about Enantioselective allylation from allene, a petroleum cracking byproduct. Author is Liu, Richard Y.; Zhou, Yujing; Yang, Yang; Buchwald, Stephen L..

Allene (C3H4) gas is produced and separated on million-metric-ton scale per yr during petroleum refining but is only rarely employed in chem. manufacturing Meanwhile, the addition of an allyl group (C3H5) to ketone-containing mols. is among the most common and prototypical reactions in organic synthesis. Herein, we report that the combination of allene with environmentally benign hydrosilanes can replace harsher, more wasteful, and more expensive allylmetal reagents in enantioselective ketone allylation reactions. This process is catalyzed by an earth-abundant metal and com. available ligands, operates without specialized equipment or pressurization, and tolerates a broad range of functional groups. Furthermore, the exceptional chemoselectivity of our catalyst system enables industrially relevant C3 hydrocarbon mixtures of allene with methylacetylene and propylene to be applied directly. Based on our strategy, we anticipate the rapid development of methods that leverage this unexploited feedstock as a surrogate for existing nucleophilic allylation reagents.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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.Thapa, P.; Arnquist, I.; Byrnes, N.; Denisenko, A. A.; Foss, Jr. F. W.; Jones, B. J. P.; McDonald, A. D.; Nygren, D. R.; Woodruff, K. researched the compound: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane( cas:33941-15-0 ).Product Details of 33941-15-0.They published the article 《Barium Chemosensors with Dry-Phase Fluorescence for Neutrinoless Double Beta Decay》 about this compound( cas:33941-15-0 ) in Scientific Reports. Keywords: barium chemosensor phase fluorescence neutrinoless double beta decay. We’ll tell you more about this compound (cas:33941-15-0).

The nature of the neutrino is one of the major open questions in exptl. nuclear and particle physics. The most sensitive known method to establish the Majorana nature of the neutrino is detection of the ultra-rare process of neutrinoless double beta decay. However, identification of one or a handful of decay events within a large mass of candidate isotope, without obfuscation by backgrounds is a formidable exptl. challenge. One hypothetical method for achieving ultra- low-background neutrinoless double beta decay sensitivity is the detection of single 136Ba ions produced in the decay of 136Xe (“”barium tagging””). To implement such a method, a single-ion-sensitive barium detector must be developed and demonstrated in bulk liquid or dry gaseous xenon. This paper reports on the development of two families of dry-phase barium chemosensor mols. for use in high pressure xenon gas detectors, synthesized specifically for this purpose. One particularly promising candidate, an anthracene substituted aza-18-crown-6 ether, is shown to respond in the dry phase with almost no intrinsic background from the unchelated state, and to be amenable to barium sensing through fluorescence microscopy. This interdisciplinary advance, paired with earlier work demonstrating sensitivity to single barium ions in solution, opens a new path toward single ion detection in high pressure xenon gas.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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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Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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: 503538-69-0, is researched, Molecular C38H24F4O4P2, about Asymmetric Hydrogenation of Cyclic Imines and Enamines: Access to 1,5-Benzodiazepine Pharmacophores, the main research direction is asym hydrogenation benzodiazepinone rhodium difluoroPhos catalyst.Application of 503538-69-0.

A new strategy towards the pharmacol. relevant class of dihydro-1,5-benzodiazepines was developed by applying a rhodium-catalyzed asym. hydrogenation. The approach represents an efficient protocol providing access to the optically active products I (R1 = Ph, 4-MeC2H4, 2-furyl, Me, etc., R2 = H, 7-Me) in excellent yields (up to 99%) and with high enantioselectivities (up to 92% ee). The versatility of the methodol. was demonstrated by a broad substrate scope including alkyl, aryl, and heteroaryl substituents as well as halides. Furthermore, investigations regarding the reaction mechanism were performed and unraveled a preferred reaction of the tautomeric enamine in the rhodium-catalyzed asym. hydrogenation.

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Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

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,
Benzoxazole | C7H5NO – PubChem

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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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem