1193731-74-6

Basic information

• Product Name: (S)-3,6-dimethylisobenzofuran-1(3H)-one
• CAS NO: 1193731-74-6
• Molecular Weight: 162.188
• Mol File: 1193731-74-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (S)-3,6-dimethylisobenzofuran-1(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3,6-dimethylisobenzofuran-1(3H)-one(1193731-74-6)
• EPA Substance Registry System: (S)-3,6-dimethylisobenzofuran-1(3H)-one(1193731-74-6)

Safety Data

• Hazardous Substances Data: 1193731-74-6(Hazardous Substances Data)

Upstream product

• 2305-36-4 4-methylanthranilic acid 
• 122710-21-8 2’-amino-4’-methylacetophenone 
• 64113-87-7 2-acetyl-5-methylbenzonitrile 
• 27329-27-7 4-methyl-2-nitrobenzoic acid 

Relevant articles and documents

Highly stereoselective chemoenzymatic synthesis of the 3 h -isobenzofuran skeleton. access to enantiopure 3-methylphthalides

A straightforward synthesis of (S)-3-methylphthalides has been developed, with the key asymmetric step being the bioreduction of 2-acetylbenzonitriles. Enzymatic processes have been found to be highly dependent on the pH value, with acidic conditions being required to avoid undesired side reactions. Baker's yeast was found to be the best biocatalyst acting in a highly stereoselective fashion. The simple treatment of the reaction crudes with aqueous HCl has provided access to enantiopure (S)-3-methylphthalides in moderate to excellent yields.