| Identification | Back Directory | [Name]
(3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER | [CAS]
885280-38-6 | [Synonyms]
3-(Boc-aMino)cyclohexanone
3-N-BOC-AMINO CYCLOHEXANONE
3-(Boc-amino)cyclohexanone,95%
TERT-BUTYL 3-OXOCYCLOHEXYLCARBAMATE
tert-butyl N-(3-oxocyclohexyl)carbaMate
3-Aminocyclohexan-1-one, N-BOC protected
(3-Oxo-cyclohexyl)-carbaMic acid benzyl ester
(3-OXO-CYCLOHEXYL)-CARBAMIC ACID TERT-BUTYL ESTER
Carbamic acid, (3-oxocyclohexyl)-, 1,1-dimethylethyl ester
Carbamic acid,N-(3-oxocyclohexyl)-, 1,1-dimethylethyl ester
tert-Butyl (3-oxocyclohexyl)carbamate, 1-[(tert-Butoxycarbonyl)amino]-3-oxocyclohexane | [Molecular Formula]
C11H19NO3 | [MDL Number]
MFCD03790905 | [MOL File]
885280-38-6.mol | [Molecular Weight]
213.27 |
| Chemical Properties | Back Directory | [Melting point ]
81-85oC | [Boiling point ]
335.9±31.0 °C(Predicted) | [density ]
1.06±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Store in freezer, under -20°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
12.01±0.20(Predicted) | [color ]
Pale Beige | [InChI]
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8H,4-7H2,1-3H3,(H,12,14) | [InChIKey]
VGDCXKATFLOEHF-UHFFFAOYSA-N | [SMILES]
C(OC(C)(C)C)(=O)NC1CCCC(=O)C1 | [CAS DataBase Reference]
885280-38-6 |
| Hazard Information | Back Directory | [Uses]
(3-Oxocyclohexyl)carbamic Acid tert-Butyl Ester is used to prepare (benzyloxy)benzamides as TRPM8 antagonists. | [Synthesis]
General procedure for the synthesis of N-Boc-3-cyclohexanone amine from tert-butyl 3-hydroxycyclohexylcarbamate: To a solution of tert-butyl (3-hydroxycyclohexyl)carbamate (4.40 g, 20.46 mmol) in dichloromethane (DCM, 250 mL) was added Dess-Martin periodinane (13.0 g, 30.70 mmol). The reaction mixture was cooled in an ice bath and then stirred at room temperature for 2 hours. After completion of the reaction, the reaction mixture was diluted with DCM and washed with aqueous sodium carbonate. The organic layer was separated and dried with anhydrous sodium sulfate and subsequently concentrated. The crude product was purified by silica gel column chromatography (eluent: 40% petroleum ether solution of ethyl acetate) to afford N-Boc-3-cyclohexanone amine (4.0 g, 18.78 mmol, 91% yield). Mass spectrum (ESI) m/z 214.1 [M + H]+. | [References]
[1] Patent: US2015/175557, 2015, A1. Location in patent: Paragraph 0383
[2] Patent: WO2016/44770, 2016, A1. Location in patent: Page/Page column 736 |
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