Ethyl 4-oxocyclohexanecarboxylate

Ethyl 4-oxocyclohexanecarboxylate
  • CAS No.:17159-79-4

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  1. This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
  2. This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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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
Mol File:17159-79-4.mol
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
Specific Gravity1.07
color Clear colorless to yellow
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
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.
UsesEmployed in the preparation of dopamine agonists1 and the skeleton of tetracyclic diterpenes.2
UsesEmployed in the preparation of dopamine agonists and the skeleton of tetracyclic diterpenes.

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