72985-23-0

Basic information

• Product Name: 1(3H)-Isobenzofuranone,6-methyl-(9CI)
• Synonyms: 1(3H)-Isobenzofuranone,6-methyl-(9CI);6-Methyl-3H-2-benzofuran-1-one;1(3H)-Isobenzofuranone,6-methyl;6-methyl-1(3H)-Isobenzofuranone;6-methylisobenzofuran-1(3H)-one
• CAS NO: 72985-23-0
• Molecular Formula: C₉H₈O₂
• Molecular Weight: 148.15862
• Product Categories: PHENYL
• Mol File: 72985-23-0.mol
• Article Data: 26

Chemical Properties

• Melting Point: 71-73 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 332.5±41.0 °C(Predicted)
• Appearance: /
• Density: 1.211±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1(3H)-Isobenzofuranone,6-methyl-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1(3H)-Isobenzofuranone,6-methyl-(9CI)(72985-23-0)
• EPA Substance Registry System: 1(3H)-Isobenzofuranone,6-methyl-(9CI)(72985-23-0)

Safety Data

• Hazardous Substances Data: 72985-23-0(Hazardous Substances Data)

Usage

General Description

1(3H)-Isobenzofuranone,6-methyl-(9CI) is a chemical compound with the molecular formula C9H8O2. It belongs to the class of isobenzofuranones, which are organic compounds that contain a benzofuranone moiety. This chemical is also known as 6-methylisobenzofuran-1(3H)-one. It is used in the synthesis of pharmaceuticals and has potential applications in the development of new drugs and medicines. 1(3H)-Isobenzofuranone,6-methyl-(9CI) is a white solid with a melting point of 106-108°C and can be handled and stored safely under proper conditions. It is important to handle this chemical with caution and follow all safety guidelines when working with it in a laboratory setting.

Upstream product

• 589-18-4 4-Methylbenzyl alcohol 
• 201230-82-2 carbon monoxide 
• 72985-22-9 2-(hydroxymethyl)-5-methylbenzoic acid 
• 610-72-0 2,5-dimethylbenzoic acid 
• 177166-15-3 6-(bromomethyl)-1(3H)-isobenzofuranone 
• 13730-55-7 methyl 2,5-dimethylbenzoate 
• 74725-06-7 methyl 2,5-bis(bromomethyl)benzoate 
• 72985-20-7 2-bromomethyl-5-methylbenzoic acid 
• 19477-73-7 6-bromophthalide 
• 594-27-4 tetramethylstannane 
• 75-09-2 dichloromethane 
• 99-04-7 m-Toluic acid 
• 74-95-3 1,1-dibromomethane 
• 19438-61-0 4-methylphthalic anhydride 

Downstream Products

• 177166-16-4 3-hydroxy-6-methylisobenzofuran-1(3H)-one 
• 72985-22-9 2-(hydroxymethyl)-5-methylbenzoic acid 
• 150867-03-1 2-formyl-5-methylbenzoic acid 
• 1352835-84-7 2-((3-(1-carbamoyl-7-(2-methoxyethoxy)-9H-pyrido[3,4-b]indol-4-yl)-2-fluorophenylamino)methyl)-5-methylbenzoic acid 
• 61099-10-3 4-methyl-2-formylbenzoic acid 
• 90534-49-9 1,2-bishydroxymethyl-4-methylbenzene 
• 1251927-44-2 6-methyl-1,3-dihydro-2-benzofuran-1-ol 

Relevant articles and documents

Squaramide-catalyzed asymmetric intramolecular oxa-michael reaction of α,β-unsaturated carbonyls containing benzyl alcohol: Construction of chiral 1-substituted phthalans

Organocatalytic enantioselective intramolecular oxa-Michael reactions of benzyl alcohol bearing α,β-unsaturated carbonyls as Michael acceptors are presented herein. Using cinchona squaramide-based organocatalyst, enones as well as α,βunsaturated esters containing benzyl alcohol provided their corresponding 1,3-dihydroisobenzofuranyl-1-methylene ketones and 1,3-dihydroisobenzofuranyl-1-methylene esters in excellent yields with high enantioselectivities. In addition, enantioenriched 1,3-dihydroisobenzofuranyl-1-methylene ketone could be obtained from the Wittig/oxa-Michael reaction cascade of 1,3-dihydro-2-benzofuran-1-ol.

Organocatalytic enantioselective synthesis of phthalans via Wittig/oxa-Michael cascade reaction

An enantioselective synthetic method for 1-substituted phthalans has been developed. The organocatalytic reaction between 1,3-dihydro-2-benzofuran-1-ols and Wittig reagents using cinchona squaramide-based organocatalyst proceeded with sequential Wittig reaction followed by an enantioselective intramolecular oxa-Michael reaction, yielding enantioenriched phthalans with moderate to good enantioselectivities.

Synthesis of 3-Unsubstituted Phthalides from Aryl Amides and Paraformaldehyde via Ruthenium(II)-Catalyzed C–H Activation

A straightforward and convenient route has been developed for the synthesis of 3-unsubstituted phthalide derivatives from aryl amides and paraformaldehyde by ruthenium(II)-catalyzed C–H activation. The reaction proceeds through tandem ortho-hydroxymethylation of aryl amide and subsequent intramolecular lactonization.