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
• Article Data: 13

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

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Downstream Products

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

Relevant articles and documents

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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.).

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.