| Identification | Back Directory | [Name]
Methyl 4-ketocyclohexanecarboxylate | [CAS]
6297-22-9 | [Synonyms]
NSC 17321
4-carbomethoxycyclohexanone
4-(Methoxycarbonyl)cyclohexanone
methyl 4-oxocyclohexancarboxylate
Methyl 4-cyclohexanonecarboxylate
Methyl cyclohexanone-4-carboxylate
METHYL 4-KETOCYCLOHEXANECARBOXYLATE
4-CYCLOHEXANE CARBOXYLIC ACID METHYL ESTER
4-OXO-CYCLOHEXANECARBOXYLIC ACID METHYL ESTER
4-Oxocyclohexane-1-carboxylic acid methyl ester
Cyclohexanecarboxylic acid, 4-oxo-, methyl ester | [Molecular Formula]
C8H12O3 | [MDL Number]
MFCD00270324 | [MOL File]
6297-22-9.mol | [Molecular Weight]
156.18 |
| Chemical Properties | Back Directory | [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 | [InChIKey]
BLYKGTCYDJZLFB-UHFFFAOYSA-N | [SMILES]
C1(C(OC)=O)CCC(=O)CC1 |
| Hazard Information | Back Directory | [Uses]
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.
| [References]
[1] Journal of Organic Chemistry, 1991, vol. 56, # 5, p. 1758 - 1763
[2] Bioorganic and Medicinal Chemistry, 2005, vol. 13, # 23, p. 6309 - 6323
[3] Tetrahedron, 2006, vol. 62, # 42, p. 10000 - 10004
[4] Patent: US2010/9964, 2010, A1. Location in patent: Page/Page column 73
[5] Farmaco, Edizione Scientifica, 1984, vol. 39, # 12, p. 1024 - 1037 |
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