2-Dioxocyclohexaneacetic acid

Base Information

• Chemical Name: 2-Dioxocyclohexaneacetic acid
• CAS No.: 771-12-0
• Molecular Formula: C8H10O4
• Molecular Weight: 170.165
• European Community (EC) Number: 212-229-5
• DSSTox Substance ID: DTXSID30998360
• Nikkaji Number: J193.154G
• Mol file: 771-12-0.mol

Synonyms:2-Dioxocyclohexaneacetic acid;771-12-0;EINECS 212-229-5;oxo(2-oxocyclohexyl)acetic acid;2-oxocyclohexylglyoxylic acid;SCHEMBL10967147;DTXSID30998360;alpha,2-Dioxocyclohexaneacetic acid

Chemical Property of 2-Dioxocyclohexaneacetic acid

Chemical Property:

• Vapor Pressure: 8.95E-05mmHg at 25°C
• Boiling Point: 316.1°C at 760 mmHg
• Flash Point: 159.2°C
• PSA: 71.44000
• Density: 1.32g/cm³
• LogP: 0.39940
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.05790880
• Heavy Atom Count: 12
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)C(=O)C(=O)O

Technology Process of 2-Dioxocyclohexaneacetic acid

There total 2 articles about 2-Dioxocyclohexaneacetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(R)-Hydroxy-(2-oxo-cyclohexyl)-acetic acid (98558-76-0) → α,2-Dioxocyclohexaneacetic Acid (771-12-0)

Guidance literature:

With benzylviologen cation radical; In water; at 25 ℃; Equilibrium constant; cell free extract of Proteus vulgaris (potassium phosphate buffer pH 7.0), V_max;

DOI:10.1016/S0040-4020(01)86506-6

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + oxalic acid diethyl ester (95-92-1) → α,2-Dioxocyclohexaneacetic Acid (771-12-0)

Guidance literature:

With ethanol; sodium;

Reference yield:

α,2-Dioxocyclohexaneacetic Acid (771-12-0) + dihydrogen peroxide (7722-84-1) → Adipic acid (124-04-9)

Guidance literature:

upstream raw materials:

cyclohexanone

oxalic acid diethyl ester

(R)-Hydroxy-(2-oxo-cyclohexyl)-acetic acid

Downstream raw materials:

ethyl 2-oxo-2-(2-oxocyclohexyl)acetate

4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid

1-p-tolyl-3-p-tolylimino-1,3,4,5,6,7-hexahydro-indol-2-one

1-(3,4-dimethoxy-phenethyl)-3-(3,4-dimethoxy-phenethylimino)-1,3,4,5,6,7-hexahydro-indol-2-one

Refernces