Tag: M.W=150-200

Liu, Bin published the artcileSynthesis of 1,2-phenylenedimethanols by base-promoted reduction of isobenzofuran-1(3H)-ones with silane, Computed Properties of 52010-22-7, the main research area is phenylenedimethanol preparation isobenzofuranone reduction base silane.

An efficient method for preparation of substituted 1,2-phenylenedimethanols and aliphatic 1,4-diols that are valuable intermediates in organic synthesis, was developed by the base-promoted reduction of isobenzofuran-1(3H)-ones and γ-lactones with silane under mild conditions. Compared with traditional procedures using stoichiometric amounts of metal hydrides and alkyl reductants, the present method avoids the use of sensitive reagents and is operationally simple and a broad variety of functional groups are tolerated.

Chinese Chemical Letters published new progress about Bases Role: RGT (Reagent), RACT (Reactant or Reagent). 52010-22-7 belongs to class benzofurans, name is 4-Chlorophthalide, and the molecular formula is C8H5ClO2, Computed Properties of 52010-22-7.

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Menkir, Mengistu Gemech published the artcileThe role of cesium fluoride in aryl propargyl ether Claisen rearrangement and its mechanistic elucidation: a theoretical study, Formula: C10H10O2, the main research area is cesium fluoride aryl propargyl ether Claisen rearrangement mechanistic theor.

The role of cesium fluoride (CsF) in aryl propargyl ether Claisen rearrangement and its mechanistic pathway were studied in gas and solvent phase using the d. functional theory implemented in Gaussian 09. Results indicate that the [3,3]-sigmatropic rearrangement is the rate-limiting step with ΔG‡ value of 37.1 kcal/mol in solvent phase. Also, the enolization of α-allenylketone intermediate (Int1-CsF) has a higher free energy barrier, which implies that the formation of benzopyran is not favored in the presence of CsF. However, the abstraction of the α-hydrogen atom in Int1-CsF with CsF shows a very low free energy barrier and is the most favored pathway for aryl propargyl ether Claisen rearrangement in the presence of CsF to form benzofuran. In the case of substituted aryl propargyl ethers, a methoxy group on the benzene ring lowers the activation barrier. The HOMO-LUMO, conformational and NBO anal. indicate that increasing Me substitution on the propargyl residue enhances the rearrangement reaction.

Structural Chemistry published new progress about [3,3]-Sigmatropic rearrangement (rds). 13391-27-0 belongs to class benzofurans, name is 5-Methoxy-2-methylbenzofuran, and the molecular formula is C10H10O2, Formula: C10H10O2.

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Boykin, David W. published the artcileOxygen-17 nuclear magnetic resonance spectroscopic study of substituted phthalic anhydrides and phthalides, Category: benzofurans, the main research area is NMR oxygen phthalic anhydride phthalide.

17O chem. shift data (natural abundance) for 3-substituted phthalic anhydrides and 4- and 7-substituted phthalides in acetonitrile at 75° are reported. Steric interactions of substituents ortho to the carbonyl groups result in deshielding effects (9-22 ppm) relative to parent compounds regardless of the electronic character of the substituents. Factors contributing to the deshielding effects are discussed. The relationship between 17O chem. shifts and regiochem. of the phthalic anhydrides is discussed.

Canadian Journal of Chemistry published new progress about NMR (nuclear magnetic resonance). 52010-22-7 belongs to class benzofurans, name is 4-Chlorophthalide, and the molecular formula is C8H5ClO2, Category: benzofurans.

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Kubeczka, K. H. published the artcileThe compositions of the essential root oils from Pimpinella saxifraga s.l. and chemotaxonomic implications, HPLC of Formula: 13391-27-0, the main research area is Pimpinella root oil composition chemotaxonomy; sesquiterpene Pimpinella root oil chemotaxonomy.

The essential root oils of the P. saxifraga subspecies eusaxifraga, alpestris and nigra were investigated by means of capillary GC and spectroscopic methods. A total of 48 components was identified. Characteristic constituents of all oils are pseudoisoeugenol derivatives, sesquiterpenoids and trinor-sesquiterpene hydrocarbons, but the qual. and quant. patterns of the individual oils exhibit significant differences. The results obtained were discussed in regard to a chemotaxonomic reliable delimitation of the 3 described subspecies of P. saxifraga.

Zeitschrift fuer Naturforschung, C: Journal of Biosciences published new progress about Pimpinella saxifraga alpestris. 13391-27-0 belongs to class benzofurans, name is 5-Methoxy-2-methylbenzofuran, and the molecular formula is C10H10O2, HPLC of Formula: 13391-27-0.

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Margrey, Kaila A. published the artcilePredictive Model for Site-Selective Aryl and Heteroaryl C-H Functionalization via Organic Photoredox Catalysis, Safety of 5-Methoxy-2-methylbenzofuran, the main research area is site selective aryl heteroaryl functionalization organic photoredox catalysis.

Direct C-H functionalization of aromatic compounds is a useful synthetic strategy that has garnered much attention because of its application to pharmaceuticals, agrochems., and late-stage functionalization reactions on complex mols. On the basis of previous methods disclosed by our lab, we sought to develop a predictive model for site selectivity and extend this aryl functionalization chem. to a selected set of heteroaromatic systems commonly used in the pharmaceutical industry. Using electron d. calculations, we were able to predict the site selectivity of direct C-H functionalization in a number of heterocycles and identify general trends observed across heterocycle classes.

Journal of the American Chemical Society published new progress about Amination, regioselective. 13391-27-0 belongs to class benzofurans, name is 5-Methoxy-2-methylbenzofuran, and the molecular formula is C10H10O2, Safety of 5-Methoxy-2-methylbenzofuran.

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Soucy, C. published the artcileThe regioselectivity of metal hydride reductions of 3-substituted phthalic anhydrides, Product Details of C8H5ClO2, the main research area is phthalide substituted; phthalic anhydride substituted hydride reduction; regiochem reduction substituted phthalic anhydride.

The reduction of 3-methoxyphthalide by metal hydrides was reinvestigated. Various effects controlling selectivity of reductions in 3-substituted phthalides were studied, and a qual. interpretation of the results was proposed. Methods for obtaining enhanced yields of one or the other lactonic product were developed.

Journal of Organic Chemistry published new progress about LUMO (molecular orbital). 52010-22-7 belongs to class benzofurans, name is 4-Chlorophthalide, and the molecular formula is C8H5ClO2, Product Details of C8H5ClO2.

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Higson, Frank H. published the artcileDegradation of 2-methylbenzoic acid by Pseudomonas cepacia MB2, Application In Synthesis of 52010-22-7, the main research area is Pseudomonas methylbenzoate degradation.

This report describes the isolation of Pseudomonas cepacia MB2, believed to the 1st microorganism to utilize 2-methylbenzoic acid as the sole carbon source. Its growth range included all mono- and dimethylbenzoates (with the exception of 2,5- and 2,6-dimethylbenzoates) and 3-chloro-2-methylbenzoate (but not 4- or 5-chloro-2-methylbenzoate) but not chlorobenzoates lacking a Me group. 2-Chlorobenzoate, 3-chlorobenzoate, and 2,3-, 2,4-, and 3,4-dichlorobenzoates inhibited growth of MB2 on 2-methylbenzoate as a result of cometab. to the corresponding chlorinated catechols which blocked the key enzyme catechol 2,3-dioxygenase. A metapyrocatechase-neg. mutant, MB2-G5, showed accumulation of dimethylcatechols from 2,3- and 3,4-dimethylbenzoates, and phenols were detected in resting-cell transformation extracts bearing the same substitution pattern as the original substrate, presumably following thermal degradation of the intermediate dihydrodiol. 2-Methylphenol was also found in extracts of the mutant cells with 2-methylbenzoate. These observations suggested a major route of methylbenzoate metabolism to be dioxygenation to a carboxy-hydrodiol which then forms a catechol derivative In addition, the Me group of 2-methylbenzoate was oxidized to isobenzofuranone (by cells of MB2-G5) and to phthalate (by cells of a sep. mutant that could not utilize phthalate, MB2-D2). This pathway also generated a chlorinated isobenzofuranone from 3-chloro-2-methylbenzoate.

Applied and Environmental Microbiology published new progress about Burkholderia cepacia. 52010-22-7 belongs to class benzofurans, name is 4-Chlorophthalide, and the molecular formula is C8H5ClO2, Application In Synthesis of 52010-22-7.

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Martin, R. published the artcileReinvestigation of the phenylpropanoids from the roots of Pimpinella species, Related Products of benzofurans, the main research area is phenylisopropanoid Pimpinella structure; isoeugenol derivative Pimpinella structure; fatty acid ester phenylisopropanoid Pimpinella; linolenate ester phenylisopropanoid Pimpinella.

The roots of P. saxifraga and P. major (Umbelliferae) were reexamined for their isoeugenol derivatives According to high field 1H and 13C NMR, as well as mass spectroscopic studies, the previously described substitution pattern (4-OH, 5-OMe) must be revised to be 2-OH and 5-OMe. A fatty acid ester of a phenylpropanoid was found, its structure was elucidated by 2-dimensional 1H NMR (1H-1H correlated spectroscopy).

Planta Medica published new progress about Pimpinella saxifraga. 13391-27-0 belongs to class benzofurans, name is 5-Methoxy-2-methylbenzofuran, and the molecular formula is C10H10O2, Related Products of benzofurans.

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Geng, Pengxin published the artcileA g-C3N4-based heterogeneous photocatalyst for visible light mediated aerobic benzylic C-H oxygenations, Name: 4-Chlorophthalide, the main research area is graphitic carbon nitrid heterogeneous photocatalytic benzylic oxygenation; green chem.

A metal-free heterogeneous photocatalytic system has been developed for highly efficient benzylic C-H oxygenations using oxygen as an oxidant. This visible light mediated oxidation reaction utilizes graphitic carbon nitride (g-C3N4) as a recyclable, nontoxic and low cost photocatalyst. Mild reaction conditions allow for the generation of synthetically and biol. valued isochromannones, phthalides, isoquinolinones, isoindolinones and xanthones from readily accessible alkyl aromatic precursors in good yields. The heterogeneous nature of the g-C3N4 catalytic system enables easy recovery and recycling as well as the use in multiple runs without loss of activity. The synthetic utility of this “”green”” methodol. was further demonstrated by applying in bioactive and drug valued target syntheses.

Green Chemistry published new progress about C-H bond activation. 52010-22-7 belongs to class benzofurans, name is 4-Chlorophthalide, and the molecular formula is C8H5ClO2, Name: 4-Chlorophthalide.

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem

Pu, Fan published the artcilePalladium (II)-Catalyzed Decarboxylative Cross-Dehydrogenative Coupling: Direct Synthesis of meta-Substituted Biaryls from Aromatic Acids, Recommanded Product: 4-Chlorophthalide, the main research area is aromatic acid palladium catalyst regioselective tandem oxidative coupling decarboxylation; biaryl preparation.

A palladium-catalyzed tandem process of simple aromatic acids was achieved to afford meta-substituted biaryls in moderate to good yields. The reaction proceeded via carboxyl-directed intermol. cross-dehydrogenative coupling and subsequent decarboxylation. The new C-C bonds in this transformation were formed in the ortho position of carboxyl and the reaction tolerates electron-rich acids. Both sym. and unsym. meta-substituted biaryls were directly synthesized via this method.

Advanced Synthesis & Catalysis published new progress about Biaryls Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 52010-22-7 belongs to class benzofurans, name is 4-Chlorophthalide, and the molecular formula is C8H5ClO2, Recommanded Product: 4-Chlorophthalide.

Referemce:
Benzofuran – Wikipedia,
Benzofuran | C8H6O – PubChem