ChemicalBook Product Catalog Chemical Reagents Organic reagents Esters Ethyl compound Ethyl 4-oxocyclohexanecarboxylate

Ethyl 4-oxocyclohexanecarboxylate

Ethyl 4-oxocyclohexanecarboxylate Basic information
Product Name:Ethyl 4-oxocyclohexanecarboxylate
Synonyms:ethyl 4-oxocyclohexancarboxylate;CyclohexanonecarboxylicAcidEthylEster,4-;4-CYCLOHEXANONECARBOXYLIC ACID ETHYL ESTER;4-(ETHOXYCARBONYL)CYCLOHEXANONE;ETHYL 4-CYCLOHEXANONECARBOXYLATE;ETHYL 4-OXOCYCLOHEXANECARBOXYLATE;CYCLOHEXANONE-4-CARBOXYLIC ACID ETHYL ESTER;Ethyl 4-oxocyclohexanecarboxylate 97%
CAS:17159-79-4
MF:C9H14O3
MW:170.21
EINECS:628-731-6
Product Categories:Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Aliphatics;Intermediates & Fine Chemicals;Pharmaceuticals;Maraviroc;Esters;Ring Systems;Drug Intermediates;17159-79-4
Mol File:17159-79-4.mol
Ethyl 4-oxocyclohexanecarboxylate Structure
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.)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform, Methanol
form Liquid
color Clear colorless to yellow
Specific Gravity1.07
Water Solubility insoluble
BRN 2520501
InChIKeyZXYAWONOWHSQRU-UHFFFAOYSA-N
CAS DataBase Reference17159-79-4(CAS DataBase Reference)
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 Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
Ethyl 4-oxocyclohexanecarboxylate Usage And Synthesis
Chemical Propertiesclear colorless to yellow liquid
UsesEmployed in the preparation of dopamine agonists and the skeleton of tetracyclic diterpenes.
UsesEmployed in the preparation of dopamine agonists1 and the skeleton of tetracyclic diterpenes.2
UsesEthyl 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.
DefinitionChEBI: 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.
Ethyl 4-oxocyclohexanecarboxylate Preparation Products And Raw materials
Preparation ProductsEthyl 3,4-dihydroxybenzoate-->4,4-Difluorocyclohexanecarboxylic acid-->(4,4-difluorocyclohexyl)methanamine-->Cyclohexanecarboxylic acid, 1-methyl-4-oxo-, ethyl ester-->4-(HYDROXYMETHYL)CYCLOHEXANONE-->ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate-->ethyl 4-(cyclopropylamino)cyclohexanecarboxylate-->Ethyl 8-chloro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate-->1,5-Dithiaspiro[5.5]undecane-9-carboxylic Acid Ethyl Ester-->4-OXO-2-CARBOXYCYCLOHEPTANE-->6-FLUORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-3-CARBOXYLIC ACID
DIETHYL 4-HYDROXY-2-(2-METHOXYPHENYL)-4-METHYL-6-OXO-1,3-CYCLOHEXANEDICARBOXYLATE AKOS BC-1751 DIISOPROPYL 2-(1,3-BENZODIOXOL-5-YL)-4-HYDROXY-4-METHYL-6-OXO-1,3-CYCLOHEXANEDICARBOXYLATE DIETHYL 2-(4-(DIETHYLAMINO)PHENYL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE DIETHYL 2-(BENZO[D][1,3]DIOXOL-5-YL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE DITERT-BUTYL 2-(FURAN-2-YL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE AKOS BC-1672 AKOS BB-2936 DIETHYL 2-(4-ETHOXYPHENYL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE DIETHYL 4-HYDROXY-4-METHYL-6-OXO-2-PYRIDIN-3-YLCYCLOHEXANE-1,3-DICARBOXYLATE AKOS B024701 ETHYL 3-OXOCYCLOHEXANECARBOXYLATE DIETHYL 2-(4-FLUOROPHENYL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE SPECS AF-399/25108033 DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE AKOS BB-2935 AKOS B024699 AKOS B024700
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