426828-26-4

Basic information

• Product Name: 2-(1-acetyl-2-(dimethylamino)vinyl)-4,6-bis-benzyloxybenzoic acid methyl ester
• CAS NO: 426828-26-4
• Molecular Weight: 459.542
• Mol File: 426828-26-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-(1-acetyl-2-(dimethylamino)vinyl)-4,6-bis-benzyloxybenzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1-acetyl-2-(dimethylamino)vinyl)-4,6-bis-benzyloxybenzoic acid methyl ester(426828-26-4)
• EPA Substance Registry System: 2-(1-acetyl-2-(dimethylamino)vinyl)-4,6-bis-benzyloxybenzoic acid methyl ester(426828-26-4)

Safety Data

• Hazardous Substances Data: 426828-26-4(Hazardous Substances Data)

Upstream product

• 96864-17-4 2,4-bis-benzyloxy-6-carboxymethylbenzoic acid methyl ester 
• 100-39-0 benzyl bromide 
• 37172-97-7 2,4-bis-benzyloxy-6-methoxycarbonylmethylbenzoic acid methyl ester 
• 6110-30-1 methyl <3,5-dihydroxy-2-(methoxycarbonyl)phenyl>acetate 
• 4637-24-5 N,N-dimethyl-formamide dimethyl acetal 
• 426828-24-2 2,4-bis-benzyloxy-6-(2-oxopropyl)benzoic acid 

Relevant articles and documents

Synthesis of 4-acetylisocoumarin: First total syntheses of AGI-7 and sescandelin

A practical synthetic route to 4-acetylisocoumarins and the first total synthesis of AGI-7 (5) and sescandelin (4) are described. The readily available homophthalate 8 was transformed to the vinylogous amide ester 13 in high overall yield. Upon treatment of 13 with refluxing aqueous formic acid, the desired 4-acetylisocoumarin (5) and its regioisomer 3-methyl-4-formylisocoumarin (17) were produced in a 3:1 ratio. After separation of the desired product (5) from the unwanted minor isomer, the enantioselective reduction of AGI-7 by borane in the presence of Corey's (S)-oxazaborolidine reagent afforded (+)-sescandelin (4) with a 93% ee.