4-Oxocyclohexanecarboxylic acid

Base Information

Chemical Name:4-Oxocyclohexanecarboxylic acid
CAS No.:874-61-3
Molecular Formula:C7H10O3
Molecular Weight:142.155
Hs Code.:2918300090
European Community (EC) Number:677-204-7
DSSTox Substance ID:DTXSID80236325
Nikkaji Number:J2.748.202C
Wikidata:Q27105526
Metabolomics Workbench ID:52876
Mol file:874-61-3.mol

Synonyms:4-ketocyclohexanecarboxylic acid;4-oxo-cHCA;4-oxocyclohexanecarboxylic acid

Suppliers and Price of 4-Oxocyclohexanecarboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-Oxocyclohexanecarboxylic acid
2g
$ 105.00

TRC
4-Oxocyclohexanecarboxylic acid
10g
$ 460.00

TCI Chemical
4-Oxocyclohexanecarboxylic Acid
1G
$ 123.00

SynQuest Laboratories
4-Oxocyclohexanecarboxylic acid 95%
1 g
$ 32.00

SynQuest Laboratories
4-Oxocyclohexanecarboxylic acid 95%
5 g
$ 80.00

SynQuest Laboratories
4-Oxocyclohexanecarboxylic acid 95%
25 g
$ 351.00

SynChem
4-Oxocyclohexanecarboxylic acid 95+%
1 g
$ 48.00

SynChem
4-Oxocyclohexanecarboxylic acid 95+%
5 g
$ 185.00

Sigma-Aldrich
4-Oxocyclohexanecarboxylic acid 97%
1g
$ 79.70

Medical Isotopes, Inc.
4-Oxocyclohexanecarboxylic acid
5 g
$ 975.00

Total 67 raw suppliers

Chemical Property of 4-Oxocyclohexanecarboxylic acid

Chemical Property:

Vapor Pressure:0.00014mmHg at 25°C
Melting Point:65-71℃
Refractive Index:1.5
Boiling Point:309.7 °C at 760 mmHg
PKA:4.43±0.20(Predicted)
Flash Point:155.3 °C
PSA：54.37000
Density:1.233 g/cm³
LogP:0.83030
Storage Temp.:2-8°C
Solubility.:DMSO, Methanol
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:142.062994177
Heavy Atom Count:10
Complexity:152

Purity/Quality:

99% ^*data from raw suppliers

4-Oxocyclohexanecarboxylic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,Xn
Statements: 22-41
Safety Statements: 26-39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)CCC1C(=O)O
Uses 4-Oxocyclohexanecarboxylic Acid is used in the preparation of Indomethacin (I641000) analogues used in the treatment of prostate cancer. In addition it is used in the synthesis of β-alanine derivative s as glucagon receptor antagonists. 4-Oxocyclohexanecarboxylic Acid is used in the preparation of Indomethacin (I641000) analogues used in the treatment of prostate cancer. In addition it is used in the synthesis of β-alanine derivatives as glucagon receptor antagonists.

Technology Process of 4-Oxocyclohexanecarboxylic acid

There total 44 articles about 4-Oxocyclohexanecarboxylic 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: 100.0%

: 17159-79-4
ethyl 4-oxocyclohexane-1-carboxylate

: 874-61-3
4-oxocyclohexanecarboxylic acid

Guidance literature:: With water; sodium hydroxide; In ethanol; at 20 ℃;
DOI:10.1021/jm101431v

Reference yield: 90.0%

: 6297-22-9
4-carbomethoxycyclohexanone

: 874-61-3
4-oxocyclohexanecarboxylic acid

Guidance literature:: With sulfuric acid; at 80 - 90 ℃; for 2h;
DOI:10.1002/ardp.19913240409

Reference yield: 88.0%

: 95233-12-8
4-methoxycyclohexylcarboxylic acid

: 874-61-3
4-oxocyclohexanecarboxylic acid

Guidance literature:: With perfluoro-cis-2-n-butyl-3-n-propyloxaziridine; In trichlorofluoromethane; for 2h; Ambient temperature;
DOI:10.1021/jo00113a002