799804-36-7

Basic information

• Product Name: Benzeneacetic acid, 2-[[(methylsulfonyl)oxy]acetyl]-, methyl ester
• CAS NO: 799804-36-7
• Molecular Formula: C12H14O6S
• Molecular Weight: 286.306
• Mol File: 799804-36-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzeneacetic acid, 2-[[(methylsulfonyl)oxy]acetyl]-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, 2-[[(methylsulfonyl)oxy]acetyl]-, methyl ester(799804-36-7)
• EPA Substance Registry System: Benzeneacetic acid, 2-[[(methylsulfonyl)oxy]acetyl]-, methyl ester(799804-36-7)

Safety Data

• Hazardous Substances Data: 799804-36-7(Hazardous Substances Data)

Upstream product

• 799804-49-2 (2-trimethylsilanylethynyl-phenyl)-acetic acid methyl ester 
• 637348-19-7 (2-ethynylphenyl)acetic acid methyl ester 
• 66370-75-0 methyl (2-iodophenyl)acetate 
• 16535-88-9 (2-acetyk-phenyl)-acetic acid methyl ester 
• 105551-42-6 (mesyloxyhydroxyiodo)benzene 

Downstream Products

• 29427-70-1 methyl 3-oxo-2,3-dihydro-1H-indene-1-carboxylate 

Relevant articles and documents

Photochemical preparation of highly functionalized 1-indanones

A series of o-alkylphenyl alkyl ketones 1 were synthesized by different methods. The presence of a leaving group X adjacent to the carbonyl group is the special peculiarity of these ketones. Upon irradiation the keto carbonyl group of these compounds undergoes an n-π* excitation followed by a 1,5-hydrogen migration from the o-alkyl substituent to the carbonyl oxygen atom. The thus formed 1,4-diradicals are subject to a very rapid elimination of acid HX, giving 1,5-diradicals. We called this process spin center shift. After intersystem crossing these diradicals cyclize to 1-indanones 20 in good yields. Depending on the solvent and on substituents, o-alkoxyalkyl ketones 22 or benzo-[c]furanes 21 are obtained as byproducts. The mechanism of the cyclization was elucidated by quantum chemical calculations and kinetic measurements.