31197-67-8

Basic information

• Product Name: Benzeneacetic acid, a-oxo-, 2-methylpropyl ester
• Synonyms: Oxo-phenyl-acetic acid isobutyl ester;Phenyl-glyoxylsaeure-isobutylester;Benzeneacetic acid, a-oxo-, 2-methylpropyl ester;isobutyl phenylglyoxylate;iso-butyl phenylglyoxalate;isobutyl benzoylformate;Isobutyl 2-oxo-2-phenylacetate;Benzoylameisensaeure-isobutylester;phenyl-glyoxylic acid isobutyl ester
• CAS NO: 31197-67-8
• Molecular Formula: C12H14O3
• Molecular Weight: 206.241
• Mol File: 31197-67-8.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 91 - 92 °C (0.7 mmHg)
• CAS DataBase Reference: Benzeneacetic acid, a-oxo-, 2-methylpropyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetic acid, a-oxo-, 2-methylpropyl ester(31197-67-8)
• EPA Substance Registry System: Benzeneacetic acid, a-oxo-, 2-methylpropyl ester(31197-67-8)

Safety Data

• Hazardous Substances Data: 31197-67-8(Hazardous Substances Data)

Upstream product

• 13001-46-2 potassium O-isobutyl dithiocarbonate 
• 98-86-2 acetophenone 
• 102-13-6 2-methylpropyl phenylacetate 
• 78-83-1 2-methyl-propan-1-ol 
• 932-87-6 1-Bromo-2-phenylacetylene 
• 536-74-3 phenylacetylene 
• 611-73-4 Benzoylformic acid 
• 29664-59-3 α-hydroxyphenylacetic acid iso-butyl ester 
• 18109-39-2 N-(2,6-diimethylphenyl)benzamide 
• 157894-20-7 isobutyl 2-phenyl-2-(2,6-xylylimino)acetate 
• 7402-45-1 α,α,α-tribromoacetophenone 
• 591-50-4 iodobenzene 
• 201230-82-2 carbon monoxide 
• 25726-04-9 phenylglyoxylyl chloride 

Downstream Products

• 100-52-7 benzaldehyde 
• 78-84-2 isobutyraldehyde 
• 1233087-03-0 isobutyl 2-phenyl-2-(phenylamino)acetate 
• 1334313-49-3 (Z)-isobutyl 2-phenyl-2-(2-tosylhydrazono)acetate 
• 29664-59-3 α-hydroxyphenylacetic acid iso-butyl ester 

Relevant articles and documents

Preparation method of alpha-ketoester compound

The invention discloses a preparation method of an alpha-ketone ester compound. The method specifically comprises the following operation steps: adding raw materials alpha-diazo ester and an organic photocatalyst into a reaction flask, then adding an organic solvent, and reacting for 2-12 hours in air at room temperature under the irradiation of a visible light lamp; after the reaction is monitored by thin-layer chromatography (TLC), stopping the reaction, and extracting a reaction solution by using ethyl acetate; concentrating the extracting solution under reduced pressure to obtain a crude product, and performing column chromatography separation on the crude product to obtain the alpha-diazonium ester compound. According to the preparation method, clean visible light is used as reaction energy, cheap organic dye is used as a photocatalyst, air is used as a green oxidizing agent and an oxygen source, and the preparation method has the advantages of simplicity and convenience in operation, no metal residue and mild reaction conditions.

Metal-Free Oxidative Esterification of Ketones and Potassium Xanthates: Selective Synthesis of α-Ketoesters and Esters

A novel and efficient oxidative esterification for the selective synthesis of α-ketoesters and esters has been developed under metal-free conditions. In the protocol, various α-ketoesters and esters are available in high yields from commercially available ketones and potassium xanthates. Mechanistic studies have proven that potassium xanthate not only promotes oxidative esterification but also provides an alkoxy moiety for the reaction, which involves the cleavage and reconstruction of C-O bonds.

Controllable chemoselectivity in the coupling of bromoalkynes with alcohols under visible-light irradiation without additives: Synthesis of propargyl alcohols and α-ketoesters

The chemoselectivity of visible-light-induced coupling reactions of bromoalkynes with alcohols can be controlled by simple changes to the reaction atmosphere (N2 or O2). A N2 atmosphere favours propargyl alcohols via a direct C-C coupling process, whereas an O2 atmosphere results in the generation of α-ketoesters through the oxidative CC/C-O coupling pathway.