HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 403390Generated: October 26, 2026
Ethyl Acetate → 3-(3-tert-Butoxycarbonyl-propylsulfanyl)-5-trifluoromethyl-benzoic acid methyl ester
https://huagongshe.com/reaction/403390
Participants
| Role | Name | HCID | Charge |
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| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | tert-Butyl 4-bromobutanoate | HCID 2757253 | — |
| Reactant | Benzoic acid, 3-mercapto-5-(trifluoromethyl)-, methyl ester | HCID 68203827 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | 3-(3-tert-Butoxycarbonyl-propylsulfanyl)-5-trifluoromethyl-benzoic acid methyl ester | HCID 68203828 | — |
Reaction Steps
To a solution of 3-mercapto-5-trifluoromethyl-benzoic acid methyl ester (990 mg, 4.19 mmol) in acetonitrile (25 mL) were added N,N-diisopropylethylamine (1.08 g, 1.46 mL, 8.38 mmol) and tert-butyl 4-bromobutanoate (935 mg, 4.19 mmol, CAS RN 110611-91-1). The clear yellow solution was stirred at room temperature for 2.5 hours and then poured on water and ethyl acetate and the layers were separated. The aqueous layer was extracted twice with ethyl acetate. The organic layers were washed with brine, dried over magnesium sulfate, filtered, treated with silica gel and evaporated. The compound was purified by silica gel chromatography on a 50 g column using a MPLC system (CombiFlash Companion, Isco Inc.) eluting with a gradient of n-heptane:ethyl acetate (100:0 to 70:30). Light yellow liquid (1.27 g, 80%). MS (ESI+): m/z=379 ([M+]).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08748434B2 |
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| Source dataset | uspto-grants-2014_06 |
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| ORD ID | ord-448051f2358b4aeab4e59db3d63c93fb |
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| Source note | uspto-grants-2014_06 |
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