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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1039714생성일: 2026년 10월 26일

Iodine → (S)-methyl 2-(tert-butoxycarbonyl)-3-(4-(trifluoromethyl)phenyl)propanoate

https://huagongshe.com/reaction/1039714

반응식

참여 물질

역할이름HCID투입량
반응물IodineHCID 807—
반응물Benzene, 1-iodo-4-(trifluoromethyl)-HCID 67993—
반응물2-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 11269872—
반응물(R)-methyl2-(tert-butoxycarbonyl)-3-iodopropanoateHCID 86614124—
촉매ZincHCID 23994—
촉매Bis(dibenzylideneacetone)palladiumHCID 9811564—
용매DimethylformamideHCID 6228—
생성물(S)-methyl 2-(tert-butoxycarbonyl)-3-(4-(trifluoromethyl)phenyl)propanoateHCID 67270692—

반응 조건

온도0 °C

반응 단계

Iodine (0.0140 g, 0.0553 mmol) was added to zinc (0.542 g, 8.29 mmol) and the solid mixture was heated under vacuum for 10 minutes. The flask was flushed with nitrogen three times and allowed to cool. DMF (0.5 mL, degassed with nitrogen) was added and the suspension was cooled to 0° C. and stirred while (R)-methyl 2-(tert-butoxycarbonyl)-3-iodopropanoate (1.82 g, 5.53 mmol) in DMF (2.8 mL) was added dropwise. The mixture was stirred for 30 minutes at 0° C. and then allowed to come to RT for 30 minutes. 1-Iodo-4-(trifluoromethyl)benzene (1.50 g, 5.53 mmol), tris(dibenzylideneacetone)dipalladium (0.101 g, 0.111 mmol), and dicyclohexylphosphino-2′,6′-dimethoxy-1,1′-biphenyl (S-Phos) (0.182 g, 0.442 mmol) were added. The flask was purged with nitrogen and heated at 40° C. After 3 hours the reaction was allowed to cool and partitioned between EtOAc and an aqueous solution of ˜9:1 saturated ammonium chloride/ammonium hydroxide. The aqueous layer was extracted with EtOAc and the combined organic layers were washed with water, brine, and dried over sodium sulfate. Concentration and purification by silica gel chromatography (6:1 Hexanes/EtOAc) afforded (S)-methyl 2-(tert-butoxycarbonyl)-3-(4-(trifluoromethyl)phenyl)propanoate.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US08552181B2
출처 데이터셋uspto-grants-2013_10
ORD IDord-2eb1035633dd4572879a1cf9f017cf49
출처 메모uspto-grants-2013_10