13524-76-0

Basic information

• Product Name: 3,3-Dimethylbenzofuran-2(3H)-one
• Synonyms: 3,3-Dimethyl-2(3H)-benzofuranone;3,3-Dimethylbenzofuran-2(3H)-one
• CAS NO: 13524-76-0
• Molecular Formula: C₁₀H₁₀O₂
• Molecular Weight: 162.19
• Mol File: 13524-76-0.mol

Chemical Properties

• Boiling Point: 229.1°C at 760 mmHg
• Flash Point: 86.7°C
• Appearance: /
• Density: 1.122g/cm³
• Vapor Pressure: 0.0707mmHg at 25°C
• Refractive Index: 1.533
• CAS DataBase Reference: 3,3-Dimethylbenzofuran-2(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-Dimethylbenzofuran-2(3H)-one(13524-76-0)
• EPA Substance Registry System: 3,3-Dimethylbenzofuran-2(3H)-one(13524-76-0)

Safety Data

• Hazardous Substances Data: 13524-76-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H10O2/c1-10(2)7-5-3-4-6-8(7)12-9(10)11/h3-6H,1-2H3

Upstream product

• 53987-52-3 2,3-dihydro-3,3-dimethyl-2-methylenebenzofuran 
• 553-86-6 benzofuran-2(3H)-one 
• 74-88-4 methyl iodide 
• 6640-69-3 1-(2-hydroxyphenyl)-2-methylpropan-1-one 
• 1195-98-8 2-methyl-2-phenylpropionitrile 
• 15243-33-1 dodecacarbonyl-triangulo-triruthenium 
• 1396690-36-0 2-(prop-1-en-2-yl)phenyl formate 
• 826-55-1 2-methyl-2-phenylpropionic acid 
• 1419174-65-4 C₁₀H₇⁽²⁾H₅O₂ 
• 10277-93-7 2-isopropenylphenol 
• 118-93-4 o-hydroxyacetophenone 
• 108-95-2 phenol 
• 86549-98-6 2-(2-Hydroxyphenyl)isobutyric Acid 

Downstream Products

• 13524-77-1 2-Methyl-2--propanol 
• 1095004-47-9 N-cyclopropyl-3-[3-[[1-[2-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-4-methyl-benzamide 
• 1095005-87-0 3-[5-bromo-3-[[1-methyl-1-[2-(phenylmethoxy)phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide 
• 1095004-69-5 N-cyclopropyl-3-[3-[[1-[2-[2-(ethylamino)ethoxy]phenyl]-1-methylethyl]amino]-2-oxo-1(2H)-pyrazinyl]-5-fluoro-4-methyl-benzamide 
• 1095005-86-9 3-[5-bromo-3-[[1-methyl-1-[2-(phenylmethoxy)phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-5-fluoro-4-methyl-benzoic acid, ethyl ester 
• 1095006-02-2 3-[5-bromo-3-[[1-methyl-1-[2-(phenylmethoxy)phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-5-fluoro-4-methyl-benzoic acid, methyl ester 
• 1095005-89-2 3-[3-[[1-[2-(2-chloroethoxy)phenyl]-1-methylethyl]amino]-2-oxo-1(2H)-pyrazinyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide 
• 1095005-88-1 N-cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)-1-methylethyl]amino]-2-oxo-1(2H)-pyrazinyl]-4-methyl-benzamide 
• 1095005-91-6 α,α-dimethyl-2-(phenylmethoxy)-benzeneacetamide 
• 1095005-66-5 2-(2-(benzyloxy)phenyl)propan-2-amine 
• 1095005-90-5 2-hydroxy-α,α-dimethyl-benzeneacetamide 
• 115941-82-7 trans-4-methyl-4-(2-hydroxyphenyl)pent-2-enoic acid 
• 86549-98-6 2-(2-Hydroxyphenyl)isobutyric Acid 

Relevant articles and documents

Cobalt-catalyzed C[sbnd]H activation/C[sbnd]O formation: Synthesis of benzofuranones

Herein, C[sbnd]H activation/C[sbnd]O formation reaction using novel cobalt catalytic system is reported. This reaction was given benzofuranones in moderate to excellent yields at room-temperature under air reaction conditions. The introduced strategy is efficient and low-cost method to synthesized benzofuranones from α,α-disubstitution acetic acid.

Synthesis, Application and Kinetic Studies of Chiral Phosphite-Oxazoline Palladium Complexes as Active and Selective Catalysts in Intermolecular Heck Reactions

This study identifies new phosphite-oxazoline ligands that have been successfully applied in the palladium-catalyzed intermolecular asymmetric Heck reaction. The design of the new phosphite-oxazoline ligands derives from a previous successful generation of phosphine-oxazoline ligands, by replacing the phosphine group with several π-acceptor biaryl phosphite moieties. With these simple modifications, the new phosphite-based ligands, unlike previous phosphine-oxazoline, not only present a modular design with numerous potential phosphite groups available, but they are also air-stable solids, which can be made in the same number of synthetic steps as the phosphine analogues. The substitution of the phosphine by a biaryl phosphite group extended the range of substrates and triflates sources that can be coupled with regio-, enantioselectivities and activities comparable to the few best ones reported. In addition, the ligands that provided the best selectivities contained an isopropyl oxazoline moiety instead of the tert-butyl group found in the related phosphine-oxazoline ligands, which is made from a much more expensive precursor. In this paper we have also carried out kinetic studies and a Hammett plot analysis to determine the rate determining step of this system in the regime of interest. We suggest a likely explanation for the fast Heck reaction of the phosphite-oxazoline catalysts. (Figure presented.).

Imidazole derivatives as accelerators for ruthenium-catalyzed hydroesterification and hydrocarbamoylation of alkenes: Extensive ligand screening and mechanistic study

Imidazole derivatives are effective ligands for promoting the [Ru3(CO)12]-catalyzed hydroesterification of alkenes using formates. Extensive ligand screening was performed to identify 2-hydroxymethylated imidazole as the optimal ligand. Neither carbon monoxide gas nor a directing group was required, and the reaction also showed a wide substrate generality. The Ru-imidazole catalyst system also promoted intramolecular hydrocarbamoylation to afford lactams. A Ru-imidazole complex was unambiguously analyzed by X-ray crystallography, and it had a trinuclear structure derived from one [Ru3(CO)12] and two ligands. This complex was also successfully used for hydroesterification. The mechanism was examined in detail by using D- and 13C-labeled formates, indicating that the hydroesterification reaction proceeds by a decarbonylation-recarbonylation pathway. Effective imidazole assistant: [Ru3(CO)12]-catalyzed hydroesterification of alkenes by using formates is drastically accelerated by imidazole derivatives and exhibits a broad substrate scope for both alkenes and formates. The Ru-imidazole complex also catalyzes the intramolecular hydrocarbamoylation of alkenes.

Direct lactonization of 2-arylacetic acids through Pd(II)-catalyzed C-H activation/C-O formation

Palladium-catalyzed direct lactonization of 2-arylacetic acids through a reaction sequence that includes C-H activation/C-O formation is reported. This method provides a concise and efficient pathway to synthesize fully functionalized benzofuranone derivatives, which are highly relevant to bioactive natural and synthetic products.

Pd(II)-catalyzed enantioselective C-H activation/C-O bond formation: Synthesis of chiral benzofuranones

Pd(II)-catalyzed enantioselective C-H activation of phenylacetic acids followed by an intramolecular C-O bond formation afforded chiral benzofuranones. This reaction provides the first example of enantioselecctive C-H functionalizations through Pd(II)/Pd(IV) redox catalysis.

Remarkable improvement achieved by imidazole derivatives in ruthenium-catalyzed hydroesterification of alkenes using formates

Imidazole derivatives are revealed to be effective ligands in the Ru-catalyzed hydroesterification of alkenes using formates, affording one-carbonelongated esters in high yields. Further, intramolecular hydroesterification was successfully performed to give lactones for the first time. Imidazole derivatives can contribute to promote the reaction as well as to suppress the undesired decarbonylation of formate. Toxic CO gas, a directing group, and large excess alkenes are not required.

PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES

The present invention relates to py razinone derivatives of formula (I) wherein R1, R2, R3, R4, R5, R6 and R7 are as herein defined; processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

Direct syntheses of benzofuran-2(3H)-ones and benzofuran-3(2H)-ones from 1-(2-hydroxyphenyl)alkan-1-ones by CuBr2 or CuCl2

New syntheses of benzofuran-2(3H)-ones and benzofuran-3(2H)-ones from 1-(2-hydroxyphenyl)alkan-1-ones via oxidative cyclization by CuBr2 or CuCl2 are described. A new synthesis of 1H-isochromene-1,4(3H)- diones via similar procedures is also described. Copyright

Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same

The invention relates to compounds of the formula 1 and to pharmaceutically acceptable salts, solvates, prodrugs and metabolites thereof, wherein W, Z, R1 and R2, are as defined herein. The invention also relates to methods of treating Hepatitis C virus in mammals by administering the compounds of formula 1, and to pharmaceutical compositions for treating such disorders, which contain the compounds of formula 1. The invention also relates to methods of preparing the compounds of formula 1.

INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME

The invention relates to compounds of the formula (I) and to pharmaceutically acceptable salts, solvates, prodrugs and metabolites thereof, wherein W, Z, R1and R2, are as defined herein. The invention also relates to methods of treating Hepatitis C virus in mammals by administering the compounds of formula (I), and to pharmaceutical compositions for treating such disorders, which contain the compounds of formula (I). The invention also relates to methods of preparing the compounds of formula (I).