Methyl 4-ketocyclohexanecarboxylate

CAS NO.：6297-22-9
Empirical Formula: C8H12O3
Molecular Weight: 156.18
MDL number: MFCD00270324
SAFETY DATA SHEET (SDS)
Update Date: 2024-01-10 09:17:59

What is Methyl 4-ketocyclohexanecarboxylate?

The Uses of Methyl 4-ketocyclohexanecarboxylate

Methyl 4-Oxocyclohexanecarboxylate is an intermediate for preparation of imidazobenzazepine derivatives as dual H1/5-HT2A antagonists for treatment of sleep disorders.

Synthesis

The 4-hydroxy methyl ester (4.147 g; 26.21 mmol) was dissolved in 150 mL DCM, and pyridinium chlorochromate (PCC) (8.476 g; 39.32 mmol) was added. The reaction mixture was allowed to stir at room temperature overnight. The reaction mixture was diluted with ether and decanted. Solvents were removed, and the residue was purified by flash column chromatography using 25 percent EtOAc in a hexane mixture as eluent. The product Methyl 4-ketocyclohexanecarboxylate was obtained as a colorless oil.

Properties of Methyl 4-ketocyclohexanecarboxylate

Boiling point:	96-97 °C(Press: 8.0 Torr)
Density	1.11g/ml
storage temp.	Inert atmosphere,Room Temperature
solubility	soluble in Chloroform, Methanol
form	Oil
color	Clear Colourless
InChI	InChI=1S/C8H12O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6H,2-5H2,1H3

Safety information for Methyl 4-ketocyclohexanecarboxylate

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H227:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.