ChemicalBook--->CAS DataBase List--->27983-42-2

27983-42-2

27983-42-2 Structure

27983-42-2 Structure
IdentificationBack Directory
[Name]

Ethyl 6-oxohexanoate
[CAS]

27983-42-2
[Synonyms]

Ethyl 6-oxohexanoate
6-oxohexanoic acid,ethyl ester
Hexanoic acid, 6-oxo-, ethyl ester
[Molecular Formula]

C8H14O3
[MDL Number]

MFCD17170722
[MOL File]

27983-42-2.mol
[Molecular Weight]

158.2
Chemical PropertiesBack Directory
[Boiling point ]

97-98 °C(Press: 10 Torr)
[density ]

0.9994 g/cm3(Temp: 418 °C)
[storage temp. ]

-20°C, stored under nitrogen
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C8H14O3/c1-2-11-8(10)6-4-3-5-7-9/h7H,2-6H2,1H3
[InChIKey]

UWNBKRSENSOXKX-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)CCCCC=O
Hazard InformationBack Directory
[Uses]

Ethyl 6-Oxohexanoate is a reagent used in the synthesis of pharmaceutical agents. Used in the design and synthesis of anti-cancer agents as well as in multi-acting inhibitors against HDAC, FL3 and JAK2.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 52, p. 5400, 1987 DOI: 10.1021/jo00233a018
Tetrahedron Letters, 30, p. 5329, 1989 DOI: 10.1016/S0040-4039(01)93778-5
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 6-oxohexanoate(27983-42-2)1HNMR
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