Day: April 6, 2022

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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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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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,
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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: 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,
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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,
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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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 《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 preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: (R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole( cas:503538-69-0 ) is researched.Safety of (R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole.He, Cheng-Yu; Li, Qing-Hua; Wang, Xin; Wang, Feng; Tian, Ping; Lin, Guo-Qiang published the article 《Copper-Catalyzed Asymmetric Borylative Cyclization of Cyclohexadienone-Containing 1,6-Dienes》 about this compound( cas:503538-69-0 ) in Advanced Synthesis & Catalysis. Keywords: copper catalyzed asym borylative cyclization cyclohexadienone diene; borylated tetrahydrobenzofuranone preparation; crystal structure borylated tetrahydrobenzofuranone; mol structure borylated tetrahydrobenzofuranone. Let’s learn more about this compound (cas:503538-69-0).

Due to the low reactivity of 1,6-dienes and the challenge of selectively differentiating such two olefins, the development of metal-catalyzed asym. cyclization of 1,6-dienes remains largely underdeveloped. Herein, the authors describe the 1st Cu(I)-catalyzed asym. borylative cyclization of cyclohexadienone-tethered terminal alkenes (1,6-dienes) via a tandem process: the regioselective borocupration of the electron-rich terminal alkene and subsequent conjugate addition of stereospecific secondary alkyl-Cu(I) to the electron-deficient cyclohexadienone, affording enantioenriched bicyclic skeletons bearing three contiguous stereocenters in all cis-form. Meanwhile, this mild catalytic protocol is generally compatible with a wide range of functional groups, which allows further facile conversion of the cyclization products.

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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.Ling, Johanne; Mara, David; Roure, Baptiste; Laugeois, Maxime; Vitale, Maxime R. researched the compound: (R)-5,5′-Bis(diphenylphosphino)-2,2,2′,2′-tetrafluoro-4,4′-bi-1,3-benzodioxole( cas:503538-69-0 ).Formula: C38H24F4O4P2.They published the article 《Copper(I)-Catalyzed Dearomative (3 + 2) Cycloaddition of 3-Nitroindoles with Propargylic Nucleophiles: An Access to Cyclopenta[b]indolines》 about this compound( cas:503538-69-0 ) in Journal of Organic Chemistry. Keywords: cyclopentaindoline preparation diastereoselective; nitroindole propargylic nucleophile dearomative cycloaddition copper catalyst. We’ll tell you more about this compound (cas:503538-69-0).

The copper(I)-catalyzed dearomatization of 3-nitroindoles I [R1 = 4-Me, 5-Cl, 7-CO2Me, etc.; R2 = Ac, Bz, (4-methylphenyl)sulfonyl, etc.] and 3-nitro-1-benzofuran-5-yl acetate with propargylic nucleophiles CHCCH2R3 (R3 = 1,3-dimethoxy-1,3-dioxopropan-2-yl, 1,3-bis(benzyloxy)-1,3-dioxopropan-2-yl, 4-methylbenzene-1-sulfonamidyl, etc.) is described. In mild reaction conditions, this original dearomative (3+2) cycloaddition process gives access to a wide variety of cyclopenta[b]indolines e.g., II in good to excellent yields, with high functional group tolerance. The proof of concept that an enantioselective version of this reaction is accessible by employing chiral phosphorus ligands was obtained. A mechanism proposal is given based on kinetic studies.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Electric Literature of C38H24F4O4P2. 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: (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 Development of ruthenium catalysts for the enantioselective synthesis of P-stereogenic phosphines via nucleophilic phosphido intermediates.

Ruthenium chiral diphosphine complexes [L2RuH][BPh4] or [(L1)(dmpe)RuH][BPh4] [L, L1 = chiral diphosphines, dmpe = 1,2-bis(dimethylphosphino)ethane] catalyze base-promoted low-temperature asym. alkylation of secondary phosphine PhMePH by benzyl halides, yielding chiral PhMe(ArCH2)P (Ar = Ph, 4-ClC6H4, 4-MeC6H4, 4-MeOC6H4, 2-MeC6H4, 1-naphthyl, 2-pyridinyl, 2-furanyl) or diphosphines PhMePCH2Ar1CH2PMePh (Ar1 = 1,3-phenylene, 1,2-phenylene, 1,3-pyridinediyl) with up to 80% ee [L = 4-iPr-2-(C6H4PPh2-2)oxazoline (iPr-PHOX) or L1 = MeO-BiPHEP, SEGPHOS]. The optimized base for the reaction was found to be sodium tert-amylate, which prevents the occurrence of background non-catalytic alkylation by deprotonation of uncoordinated PhMePH. The reactions proceed through the intermediacy of nucleophilic phosphido species, which have low barriers to pyramidal inversion; this allows for a dynamic kinetic asym. alkylation. The initially discovered [((R)-iPr-PHOX)2Ru(H)][BPh4] (6) catalyst was found to be effective in the reaction with benzylic chlorides; moreover, the alkylation displayed an unusual temperature dependence. However, the limited scope of alkylation of 6 motivated further studies which led to the development of two complementary chiral mixed ligand Ru(II) catalysts of type [L1L2Ru(H)]+. These catalysts were derived from a combination of one chiral and one achiral ligand, where a synergistic interaction of the two ligands creates an effective asym. environment around the ruthenium center. The (R)-MeO-BiPHEP catalyst [((R)-MeO-BiPHEP)(dmpe)RuH][BPh4] (10) was found to be effective for the asym. alkylation by benzyl chlorides, while the (R)-DIFLUORPHOS catalyst [[(R)-DIFLUORPHOS](dmpe)RuH][BPh4] (11) was optimal for the nucleophilic substitution of less activated alkyl bromides; the scope of the resp. catalysts was also explored.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem