Month: April 2022

Jiang, Yu-Han; Qiu, Qi-Ming; Jiang, Rui-Xia; Huang, Xu; Jin, Qiong-Hua published the article 《Iodido[5-methyl-1H-benzimidazole-2(3H)-thione-κS]bis(triphenylphosphane-κP)copper(I) methanol monosolvate》. Keywords: mol structure copper iodido methylbenzimidazolethione triphenylphosphine complex methanol solvate; crystal structure copper iodido methylbenzimidazolethione triphenylphosphine complex methanol solvate; hydrogen bond copper iodido methylbenzimidazolethione triphenylphosphine complex methanol solvate.They researched the compound: 2-Mercapto-5-methylbenzimidazole( cas:27231-36-3 ).Quality Control 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.

In the title compound, [CuI(C8H8N2S)(C18H15P)2]·MeOH, the coordination environment around the CuI atom is distorted tetrahedral, defined by two P atoms of two PPh3 ligands, one S atom of a 5-methyl-1H-benzimidazole-2(3H)-thione ligand and one I atom. The complex mols. and the MeOH solvent mols. are connected via N-H···O and O-H···I H bonds, forming a chain along [010]. An intramol. N-H···I H bond is also observed Crystallog. data and at. coordinates are given.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – 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, Article, Organic Letters called Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation, Author is Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J., which mentions a compound: 3194-15-8, SMILESS is O=C(C1=CC=CO1)CC, Molecular C7H8O2, SDS of cas: 3194-15-8.

A novel methodol. for the synthesis of highly substituted pyridines e. g., I, based on the palladium-catalyzed enolate α-alkenylation of ketones is presented; the formation of aromatic compounds is a new direction for this catalytic C-C bond forming reaction. In the key step, a protected β-haloalkenylaldehyde participates in α-alkenylation with a ketone to afford a 1,5-dicarbonyl surrogate, which then undergoes cyclization/double elimination to the corresponding pyridine product, all in one pot. The β-haloalkenylaldehyde starting materials can be obtained from the corresponding methylene ketone via Vilsmeier haloformylation. Using this concise route, a variety of highly substituted pyridines were synthesized in three steps from com. available compounds

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Safety of 2-Ethylbenzo[d]oxazole. 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: 2-Ethylbenzo[d]oxazole, is researched, Molecular C9H9NO, CAS is 6797-13-3, about Synergistic catalysis: highly diastereoselective benzoxazole addition to Morita-Baylis-Hillman carbonates.

An expedited method was developed for the diastereoselective synthesis of highly functionalized alkyl-azaarene systems with good yield and high diastereoselectivity (>15:1 dr). The methodol. includes a synergistic catalysis event involving organometallic (10 mol% AgOAc) activation of an alkyl azaarene and Lewis base (10 mol% DABCO, 1,4-diazabicyclo[2.2.2]octane) activation of a Morita-Baylis-Hillman carbonate. The structure and relative configuration of a representative product were confirmed by X-ray anal. The synthesis of the target compounds was achieved by a reaction of (alkyl)benzoxazole derivatives, such as 2-ethyl-6-(nitro)benzoxazole, 5-chloro-2-ethyl-6-nitrobenzoxazole, 2-(ethyl)oxazolo[5.4-b]pyridine, 4-methyl-3-nitropyridine, with Morita-Baylis-Hillman carbonates, such as β-[[(1,1-dimethylethoxy)carbonyl]oxy]-α-(methylene)benzenepropanoic acid ester derivatives

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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 《Alkylation of furan with olefins. VI. Examination of products of alkylation of furan with olefins by gas chromatography》. Authors are Hillers, S.; Andersons, A.; Berzina, A..The article about the compound:1-(Furan-2-yl)propan-1-onecas:3194-15-8,SMILESS:O=C(C1=CC=CO1)CC).Category: benzoxazole. Through the article, more information about this compound (cas:3194-15-8) is conveyed.

cf. CA 59, 1564h, 5106g. Alkyl furans were identified by gas chromatography at 120-50° in a 3.3-m. long column filled with Celite 545 containing 25% silicone E 301 or dinonyl phthalate. The flow rate of the carrier gas (He) was 1.5 l./hr. The alkyl furans were identified by means of the relation between the log of the retention volume and the number of C atoms in the side chains. In the preparation of chromatographic standards the following new furan derivatives were prepared: 2-propionylfuran (I) hydrazone, b5 91°; I semicarbazone, m. 154°; 2-propyl-5-furylmercuri chloride, m. 99°; 2-butyrylfuran (II) hydrazone, b5 95°; II semicarbazone, m. 180-1°; 2-butyl-5-furylmercuri chloride, m. 77°.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

HPLC of Formula: 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 (R)-3,5-diCF3-SYNPHOS and (R)-p-CF3-SYNPHOS, Electron-Poor Diphosphines for Efficient Room Temperature Rh-Catalyzed Asymmetric Conjugate Addition of Arylboronic Acids. Author is Berhal, Farouk; Esseiva, Olivier; Martin, Charles-Henri; Tone, Hitoshi; Genet, Jean-Pierre; Ayad, Tahar; Ratovelomanana-Vidal, Virginie.

Two new atropisomeric electron-poor chiral diphosphine ligand analogs of SYNPHOS were prepared, and their electronic properties described. These two ligands afforded high performance for the Rh-catalyzed asym. 1,4-addition of arylboronic acids to α,β-unsaturated carbonyl compounds at room temperature

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Related Products of 33941-15-0. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane, is researched, Molecular C12H25NO5, CAS is 33941-15-0, about Design and characterization of a 2-(2′-hydroxyphenyl)benzimidazole-based Sr2+-selective fluorescent probe in organic and micellar solution systems. Author is Akutsu-Suyama, Kazuhiro; Mori, Seiji; Hanashima, Takayasu.

A novel Sr2+ fluorescent probe, N-(2-hydroxy-3-(1H-benzimidazol-2-yl)-phenyl)-1-aza-18-crown-6-ether (BIC), was synthesized and its fluorescence properties, equilibrium, and local structure in solution were studied in detail. The fluorescence intensity of BIC in DMSO was enhanced selectively upon addition of Sr2+ but not Na+, K+, Mg2+, Ca2+, and Ba2+. To employ this rather hydrophobic BIC probe in aqueous media, a sodium laurate (LaNa) micellar solution was used as a good solvent. The detection limit of said LaNa micelle-BIC system (2.02μM) is lower than that of the H2O system (309μM), but higher than that of the DMSO system (0.04μM). Therefore, it is clear that the LaNa micelles have an effect on the detection of Sr2+ by BIC in aqueous solutions Further structural studies by extended X-ray absorption fine structure and speciation analyses revealed that BIC undergoes complexation equilibrium corresponding to the formation of [Sr(BIC)]+ species in all solution types. It was concluded that the changes in the Sr2+-BIC fluorescence in solution are attributed to the formation of such [Sr(BIC)]+ complexes.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – 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 Application of multivariate statistics for the classification of coffee headspace profiles, published in 1984-02-29, which mentions a compound: 3194-15-8, mainly applied to coffee volatile substance statistic classification, Category: benzoxazole.

Applying a recently developed methodol. for coffee headspace anal., 15 coffees consisting of beans from 3 different origins and roasted at 5 predetermined levels were analyzed on repeated occasions, resulting in a collection of 55 capillary gas chromatog. headspace profiles. With the help of multivariate statistics, attempts have been made to classify these profiles into coffee variety and(or) roasting categories. First, stepwise discriminant anal. (SDA) was applied to select from the bulk of headspace components the most significant ones for discriminating the different profiles. The corresponding data subsets were then analyzed by canonical (CA) and discriminant anal. (DA). With use of only 9 components, the 55 profiles could be classified into the 15 coffee categories with a 90% success rate. Doubling the number of components brought the success rate to 98%. Profile assignment appeared to result from the combined information provided by components belonging to 4 chem. families; aliphatic aldehydes, furans, pyrroles or pyrazines, and thiophenes. From the point of view of coffee chem., the canonical anal. of headspace profiles also proved to be an interesting approach. Various information on the formation processes of the different components could be derived from their vector configuration in the canonical space.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Synthetic Route of C7H8O2. 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: 1-(Furan-2-yl)propan-1-one, is researched, Molecular C7H8O2, CAS is 3194-15-8, about Identification of compounds responsible for the odorant properties of aromatic caramel. Author is Paravisini, Laurianne; Gourrat-Pernin, Karine; Gouttefangeas, Cecile; Moretton, Cedric; Nigay, Henri; Dacremont, Catherine; Guichard, Elisabeth.

Aromatic caramel results from the heat treatment of sugars under specific temperature conditions. Because of its richness in aroma compounds and its pleasant organoleptic properties, caramel is widely used in the food industry. However, the composition of the volatile odorant fraction has not been completely elucidated. The aim of this work was thus to identify the volatile odorant compounds responsible for caramel sensory properties using a multivariate statistical technique. Four aromatic caramels differing in terms of their carbohydrate composition and cooking process were chosen. Odorant compounds were screened by gas chromatog.-olfactometry (GC-O) and identified by GC-mass spectrometry (GC-MS). GC-O data were processed using a detection frequency method. A total of 76 odorant zones were detected and 49 aroma compounds identified, some of them being reported for the first time in caramel. In parallel, descriptive sensory profiles of the caramels were performed with a panel of ten trained assessors. Odor properties appeared to be closely related to the cooking properties of the caramel. The relationship between the intensities of sensory descriptors and the 76 odorant zones was modelled by partial least squares regression (PLS-R). The first PLS-R component explained 93% of the variance in sensory descriptors and 39% in GC-O data. Sensory descriptors were mainly separated on the first axis, opposing sweet-like descriptors (cooked-syrup, fruity, honey) to burnt sugar descriptors (strong, pungent, roasted). Heterocycles, carbocyclic compounds and acids appeared to be the principal odorants for burnt sugars. They were mainly described by empyreumatic notes in GC-O and correlated to burnt sugar descriptors in the PLS model. Copyright © 2012 John Wiley & Sons, Ltd.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem

Feng, Feng; Ye, Jia; Cheng, Zheng; Xu, Xiaoliang; Zhang, Qunfeng; Ma, Lei; Lu, Chunshan; Li, Xiaonian published an article about the compound: 2-Ethylbenzo[d]oxazole( cas:6797-13-3,SMILESS:CCC1=NC2=CC=CC=C2O1 ).Name: 2-Ethylbenzo[d]oxazole. 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:6797-13-3) through the article.

The coupling of multi-step reactions catalyzed by a heterogeneous catalyst is an important path to accomplish some unconventional chem. transformations. Since the starting materials generated from previous steps were adsorbed on the catalyst, the activation energy of following steps was largely decreased, and thus the reaction conditions were more mild and environmentally friendly. Catalyzed by a multifunctional Cu-Pd/γ-Al2O3 catalyst, the transfer hydrogenation and successive cyclization coupling reaction from o-nitroaniline and alc. to afford benzimidazole derivatives I (R1 = H, CH3, OCH3, Cl, F; R2 = H, CH3, C2H5, n-Pr, Ph) in high yield was realized. The catalyst could be reused several times without loss of activity. The synergies of reforming hydrogenation of Cu-Pd bimetal and support acidity of γ-Al2O3 were responsible for this catalytic transformation.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – 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, Oriental Journal of Chemistry called Structural, thermal and electrical studies on some transition metal complexes with heterocyclic benzoyl hydrazones, Author is Ishwar, Krishan Mohan, which mentions a compound: 3194-15-8, SMILESS is O=C(C1=CC=CO1)CC, Molecular C7H8O2, Safety of 1-(Furan-2-yl)propan-1-one.

Complexes of Co(II), Ni(II) and Cu(II), [ML2] (HL = 2-propionylfuran benzoylhydrazone, 2-propionylthiophene benzoylhydrazone) were synthesized and characterized by elemental anal., IR, electronic and ESR spectral studies. All the complexes were found to have octahedral geometry from magnetic and electronic spectral data, where ligands bond in a tridentate manner using azomethine nitrogen, carbonyl oxygen and furyl oxygen/sulfur for coordination. EPR study on the Cu(II) complexes indicate appreciable covalent character in the metal-oxygen bond.

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Reference:
Benzoxazole – Wikipedia,
Benzoxazole | C7H5NO – PubChem