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??3-????????-1-???????

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?? ??:
33668-25-6
???:
??3-????????-1-???????
???(??):
??3-????????-1-???????
???:
Ethyl 3-oxocyclohexane-1-carboxylate
???(??):
ETHYL 3-OXOCYCLOHEXANECARBOXYLATE;Ethyl 3-oxo-cyclohexane formate;Ethyl Cyclohexanone-β-carboxylate;ETHYL 3-OXOCYCLOHEXANE-l-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
CBNumber:
CB6265528
???:
C9H14O3
??? ??:
170.21
MOL ??:
33668-25-6.mol

??3-????????-1-??????? ??

?? ?
249℃
??
1.083
???
104℃
?? ??
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
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi
?? ???? ?? 41
????? 26-39
?? ?? ?? Irritant
HS ?? 2918199890
????(GHS): GHS hazard pictograms
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ?? GHS hazard pictograms
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
1
2 0

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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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