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Ethyl 4-oxocyclohexanecarboxylate

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Ethyl 4-oxocyclohexanecarboxylate Basic information

Product Name:
Ethyl 4-oxocyclohexanecarboxylate
Synonyms:
  • ethyl 4-oxocyclohexancarboxylate
  • CyclohexanonecarboxylicAcidEthylEster,4-
  • 4-CYCLOHEXANONECARBOXYLIC ACID ETHYL ESTER
  • 4-(ETHOXYCARBONYL)CYCLOHEXANONE
  • 4-OXO-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER
  • ETHYL 4-CYCLOHEXANONECARBOXYLATE
  • ETHYL 4-OXOCYCLOHEXANECARBOXYLATE
  • ETHYL CYCLOHEXANONE-4-CARBOXYLATE
CAS:
17159-79-4
MF:
C9H14O3
MW:
170.21
EINECS:
628-731-6
Product Categories:
  • Building Blocks
  • C8 to C9
  • Aliphatics
  • Carbonyl Compounds
  • Chemical Synthesis
  • Organic Building Blocks
  • Drug Intermediates
  • Esters
  • Ring Systems
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • Maraviroc
  • 17159-79-4
Mol File:
17159-79-4.mol
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Ethyl 4-oxocyclohexanecarboxylate Chemical Properties

Melting point:
221-226 °C
Boiling point:
150-152 °C/40 mmHg (lit.)
Density 
1.068 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.461(lit.)
Flash point:
>230 °F
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform, Methanol
form 
Liquid
Specific Gravity
1.07
color 
Clear colorless to yellow
Water Solubility 
insoluble
BRN 
2520501
InChIKey
ZXYAWONOWHSQRU-UHFFFAOYSA-N
CAS DataBase Reference
17159-79-4(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36-37/39
WGK Germany 
3
Hazard Note 
Harmful/Irritant
HazardClass 
IRRITANT
HS Code 
29183000

MSDS

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Ethyl 4-oxocyclohexanecarboxylate Usage And Synthesis

Chemical Properties

clear colorless to yellow liquid

Uses

Employed in the preparation of dopamine agonists1 and the skeleton of tetracyclic diterpenes.2

Uses

Employed in the preparation of dopamine agonists and the skeleton of tetracyclic diterpenes.

Uses

Ethyl 4-oxocyclohexanecarboxylate is a cyclohexanone derivative used in the study of cyclohexanone monooxygenase and its mutants as catalysts.It is also employed in the preparation of dopamine agonists1 and the skeleton of tetracyclic diterpenes.

Definition

ChEBI: Ethyl 4-oxocyclohexanecarboxylate is an ethyl ester resulting from the formal condensation of the carboxy group of 4-oxocyclohexanecarboxylic acid with ethanol. It is an ethyl ester, a cyclohexanecarboxylate ester and a member of cyclohexanones. It is functionally related to a 4-oxocyclohexanecarboxylic acid.

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