Ethyl 4-oxocyclohexanecarboxylate synthesis
- Product Name:Ethyl 4-oxocyclohexanecarboxylate
- CAS Number:17159-79-4
- Molecular formula:C9H14O3
- Molecular Weight:170.21
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Yield:17159-79-4 84%
Reaction Conditions:
with thionyl chloride in neat (no solvent) at 0 - 25; for 3 h;
Steps:
9 Synthesis of ethyl 4-oxocyclohexane-1-carboxylate (1):
To a solution of 4-oxocyclohexane-1-carboxylic acid (SM-1) (1 g, 6.41 mmol) in ethanol (10 mL) was added thionyl chloride (0.56 mL, 7.69 mmol) drop wise at 0 °C; warmed to RT and stirred for 3 h. After consumption of the starting material (by TLC), volatiles were evaporated under reduced pressure. Obtained crude material was dissolved in EtOAc (20 mL) and washed with aqueous NaHCO3 solution. Organic layer was dried over Na2SO4 and concentrated to obtain compound 1 (1 g, 84 %) as brown liquid. (0427) 1H NMR (500 MHz, CDCl3): δ 4.16 (q, J = 7.0 Hz, 2H), 2.77-2.70 (m, 1H), 2.50-2.43 (m, 2H), 2.38-2.30 (m, 2H), 2.23-2.16 (m, 2H), 2.05-1.95 (m, 2H), 1.26 (t, J = 7.1 Hz, 3H). LCMS (m/z): 171.3 [M++1]
References:
WO2018/26763,2018,A1 Location in patent:Page/Page column 6
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