Ethyl 2-oxocyclohexanecarboxylate

CAS No.：1655-07-8

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Ethyl 2-oxocyclohexanecarboxylate Basic information

Product Name:	Ethyl 2-oxocyclohexanecarboxylate
Synonyms:	2-oxo-cyclohexanecarboxylicaciethylester;Ethyl 1-oxo-2-cyclohexanecarboxylate;Ethyl 2-cyclohexanone-1-carboxylate;Ethyl 2-oxo-1-cyclohexanecarboxylate;Ethyl 2-oxocylohexanecarboxylate;Ethyl 2-oxylcyclohexanecarboxylic;2-CARBETHOXYCYCLOHEXANONE;AKOS 91391
CAS:	1655-07-8
MF:	C9H14O3
MW:	170.21
EINECS:	216-731-5
Product Categories:	Chemical Synthesis;Esters;Building Blocks;C8 to C9;Carbonyl Compounds;Organic Building Blocks;API intermediates
Mol File:	1655-07-8.mol

Ethyl 2-oxocyclohexanecarboxylate Chemical Properties

Melting point	101 °C
Boiling point	106 °C/11 mmHg (lit.)
density	1.064 g/mL at 25 °C (lit.)
vapor pressure	8.7Pa at 25℃
refractive index	n20/D 1.477(lit.)
Fp	185 °F
storage temp.	Inert atmosphere,Room Temperature
solubility	Chloroform (Sparingly), Methanol (Sparingly)
pka	12.06±0.20(Predicted)
form	Oil
color	Colourless
Water Solubility	Soluble in water.
BRN	608356
LogP	1.08
CAS DataBase Reference	1655-07-8(CAS DataBase Reference)
NIST Chemistry Reference	Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester(1655-07-8)
EPA Substance Registry System	Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester (1655-07-8)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	23-24/25-37/39-26-36
WGK Germany	3
TSCA	Yes
HazardClass	IRRITANT
HS Code	29183000

MSDS Information

Provider	Language
ACROS	English
SigmaAldrich	English

Ethyl 2-oxocyclohexanecarboxylate Usage And Synthesis

Chemical Properties	Clear colorless to pale yellow liquid
Uses	Ethyl 2-oxocyclohexanecarboxylate is used to produce other chemicals. For example, it can react with 4-methyl-aniline to get 2-oxo-cyclohexanecarboxylic acid p-toluidide. The reaction occurs with reagent DMAP
Uses	Ethyl 2-Oxocyclohexanecarboxylate is used in biocatalysis.
Synthesis Reference(s)	Canadian Journal of Chemistry, 42, p. 1333, 1964 DOI: 10.1139/v64-205The Journal of Organic Chemistry, 53, p. 878, 1988 DOI: 10.1021/jo00239a038Tetrahedron Letters, 7, p. 2201, 1966

Ethyl 2-oxocyclohexanecarboxylate Preparation Products And Raw materials

Raw materials	Tetrahydrofuran-->Toluene-->Sodium hydride-->Diethyl oxalate-->Sodium ethoxide-->Cyclohexanone-->Diethyl carbonate-->Potassium ethylate
Preparation Products	3-METHOXYCYCLOHEXENE-->6-BROMO-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE-->2-HYDROXYCYCLOHEXANECARBOXYLIC ACID-->1,2-Cyclopentanedicarboxylic acid

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