CyclohexylMethanethiol acetate synthesis
- Product Name:CyclohexylMethanethiol acetate
- CAS Number:107512-01-6
- Molecular formula:C9H16OS
- Molecular Weight:172.29
2550-36-9
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10387-40-3
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107512-01-6
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Yield:107512-01-6 97.68%
Reaction Conditions:
in N,N-dimethyl-formamide at 50; for 1 h;Inert atmosphere;
Steps:
14.1 Step 1 : S-cyclohexylmethyl ethanethioate
[00325] A solution of bromomethylcyclohexane (2.00 g, 11.29 mmol) and potassium ethanethioate (1.93 g, 16.93 mmol) in DMF (20.00 mL) was stirred at 50 °C for 1 h under N2 atmosphere. It was monitored by LC-MS. After completed, it was diluted with EtOAc, washed with brine, the organic layer was dried over magnesium sulfate, filtrated, concentrated to yield the crude product. It was purified by SGC to give S-(cyclohexylmethyl)ethanethioate (1.90 g, 11.03 mmol, 97.68%) as a yellow oil. ESI-MS (EI+, m/z): 173 [M+H]+. 1H MR (500 MHz, CDCb) δ 2.79 (d, 2H, J=9 Hz), 2.34 (s, 3H), 1.64-1.80 (m, 5H), 1.40-1.48 (m, 1H), 1.12-1.17 (m, 3H), 0.91-1.00 (m, 2H).
References:
WO2018/191146,2018,A1 Location in patent:Paragraph 00325
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