| Identification | Back Directory | [Name]
ETHYL 3-OXOCYCLOHEXANE-1-CARBOXYLATE | [CAS]
33668-25-6 | [Synonyms]
Ethyl 3-oxo-cyclohexane formate
ETHYL 3-OXOCYCLOHEXANECARBOXYLATE
Ethyl Cyclohexanone-β-carboxylate
ETHYL 3-OXOCYCLOHEXANE-1-CARBOXYLATE
Ethyl 3-oxocyclohexane-1-carboxylate 97+%
3-Cyclohexanonecarboxylic acid ethyl ester
3-Oxocyclohexanecarboxylic acid ethyl ester
3-Oxocyclohexane-1-carboxylic acid ethyl ester
Cyclohexanecarboxylic acid, 3-oxo-, ethyl ester
1-(Ethoxycarbonyl)-3-oxocyclohexane, 3-(Ethoxycarbonyl)cyclohexan-1-one | [EINECS(EC#)]
251-626-8 | [Molecular Formula]
C9H14O3 | [MDL Number]
MFCD00205583 | [MOL File]
33668-25-6.mol | [Molecular Weight]
170.21 |
| Chemical Properties | Back Directory | [Boiling point ]
249℃ | [density ]
1.083 | [Fp ]
104℃ | [storage temp. ]
2-8°C | [InChI]
InChI=1S/C9H14O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7H,2-6H2,1H3 | [InChIKey]
YLRVJPQVDQQBOX-UHFFFAOYSA-N | [SMILES]
C1(C(OCC)=O)CCCC(=O)C1 |
| Hazard Information | Back Directory | [Uses]
Ethyl Cyclohexanone-β-carboxylate is an intermediate used to prepare carbazole-carboxamides with selective JAK2 inhibitory activities. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 110, p. 2565, 1988 DOI: 10.1021/ja00216a033 | [Synthesis]
To a round bottom flask was added 3-oxo-1-cyclohexanecarboxylic acid (3.85 g, 27.1 mmol), ethanol (7.91 mL), p-toluenesulfonic acid (0.097 g, 0.56 mmol) and toluene (65.9 mL). The mixture was refluxed with a Dean-star trap overnight. The reaction mixture was cooled down and concentrated under reduced pressure to afford 4.61 g (100 %) of the title compound, 3-oxo-cyclohexanecarboxylic acid ethyl ester (Ethyl 3-oxocyclohexane-1-carboxylate), as a yellow oil.
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