771-12-0

Basic information

• Product Name: 2-dioxocyclohexaneacetic acid
• Synonyms: 2-dioxocyclohexaneacetic acid;2-(2-Oxocyclohexyl)glyoxylic acid
• CAS NO: 771-12-0
• Molecular Formula: C₈H₁₀O₄
• Molecular Weight: 170.1626
• EINECS: 212-229-5
• Mol File: 771-12-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 316.1°C at 760 mmHg
• Flash Point: 159.2°C
• Appearance: /
• Density: 1.32g/cm³
• Vapor Pressure: 8.95E-05mmHg at 25°C
• Refractive Index: 1.51
• CAS DataBase Reference: 2-dioxocyclohexaneacetic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-dioxocyclohexaneacetic acid(771-12-0)
• EPA Substance Registry System: 2-dioxocyclohexaneacetic acid(771-12-0)

Safety Data

• Hazardous Substances Data: 771-12-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H10O4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h5H,1-4H2,(H,11,12)

Upstream product

• 98558-76-0 (R)-Hydroxy-(2-oxo-cyclohexyl)-acetic acid 
• 108-94-1 cyclohexanone 
• 95-92-1 oxalic acid diethyl ester 

Downstream Products

• 6076-13-7 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid 
• 112867-06-8 1-p-tolyl-3-p-tolylimino-1,3,4,5,6,7-hexahydro-indol-2-one 
• 95954-02-2 1-(3,4-dimethoxy-phenethyl)-4,5,6,7-tetrahydro-indole-2,3-dione-3-(2,4-dinitro-phenylhydrazone) 
• 102010-95-7 1-(3,4-dimethoxy-phenethyl)-3-methoxy-1,4,5,6-tetrahydro-indol-2-one 
• 109514-71-8 1-benzyl-4,5,6,7-tetrahydro-indole-2,3-dione 
• 855616-29-4 1-p-tolyl-4,5,6,7-tetrahydro-indole-2,3-dione 
• 60227-99-8 3-methoxy-1-phenyl-1,4,5,6-tetrahydro-indol-2-one 
• 16560-29-5 1-phenyl-4,5,6,7-tetrahydro-indole-2,3-dione 
• 124-04-9 Adipic acid 
• 111271-52-4 1-phenyl-3-phenylimino-1,3,4,5,6,7-hexahydro-indol-2-one 
• 96274-88-3 1-(3,4-dimethoxy-phenethyl)-3-(3,4-dimethoxy-phenethylimino)-1,3,4,5,6,7-hexahydro-indol-2-one 
• 5396-14-5 ethyl 2-oxo-2-(2-oxocyclohexyl)acetate 

Relevant articles and documents

Polyfunctional (R)-2-Hydroxycarboxylic Acids by Reduction of 2-Oxo Acids with Hydrogen Gas or Formate and Resting Cells of Proteus vulgaris

Various (R)-2-hydroxy acids such as (R)-2-hydroxy-3-enoic-, 3,5-dienoic-, 4-oxo-, (R,S)-3-hydroxy and some others were prepared on a scale up to 0.12 mol by biocatalytic reduction of the corresponding 2-oxo acids with P. vulgaris and hydrogen gas and/or formate as electron donors.With the exception of the 2-hydroxy-4-oxo acids it could be proved that the enantiomeric excess is >97 percent.For the 4-oxo derivatives this enantiomeric excess can be assumed.The yields of isolated products are high because they were isolated from rather small amounts of biocatalyst and low buffer concentrations.Product concentrations in the range of 0.1- 0.24 M were obtained.For 1 mmol of product formation in 15-20 h about 20-40 mg (dry weight) of P. vulgaris cells are necessary.