3-{[3-Chloro-2-(2-trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid tert-butyl ester → HCID 11283233, 화합물

HRID 2353373

반응식

HRID 2353373 반응식
C([O:5][C:6](=[O:37])[CH2:7][CH2:8][NH:9][CH2:10][C:11]1[CH:36]=[CH:35][C:14]2[S:15][C:16]([C:19]3[CH:24]=[CH:23][C:22]([C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=4)=[C:21]([C:31]([F:34])([F:33])[F:32])[CH:20]=3)=[C:17]([Cl:18])[C:13]=2[CH:12]=1)(C)(C)C>C(O)(C(F)(F)F)=O.C(Cl)Cl>[Cl:18][C:17]1[C:13]2[CH:12]=[C:11]([CH2:10][NH:9][CH2:8][CH2:7][C:6]([OH:37])=[O:5])[CH:36]=[CH:35][C:14]=2[S:15][C:16]=1[C:19]1[CH:24]=[CH:23][C:22]([C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=2)=[C:21]([C:31]([F:33])([F:32])[F:34])[CH:20]=1

참가 물질

3

반응물 1

HCID 684512283-{[3-Chloro-2-(2-trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid tert-butyl ester

생성물 1

HCID 11283233HCID 11283233, 화합물수율 59.4%

시약·촉매·용매 1

HCID 21863450Trifluoroacetic acid methylene chloride용매

실험 절차

3-{[3-Chloro-2-(2-trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid tert-butyl ester (43 mg, 0.079 mmol) is dissolved in TFA/CH2Cl2 (1/1) (1 mL). The solution is stirred at room temperature for an hour. The mixture is concentrated and purified by reversed phase preparative LC/MS to give 23 mg of 3-{[3-chloro-2-(2-trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid: 1H NMR (CD3OD, 400 MHz) δ 8.10 (s, 1H), 7.96-8.02 (m, 3H), 7.54 (d, 1H), 7.46 (d, 1H), 7.35-7.37 (m, 3H), 7.28-7.29 (m, 2H), 4.37 (s, 2H), 3.26 (m, 2H), 2.71 (m, 2H), MS (ES+) 490.3 (M+H+).

후처리

  1. concentrationThe mixture is concentrated
  2. custompurified by reversed phase preparative LC/MS

출처 및 근거

ORD 기록
ord-502ba277e33a4dd6bfbc0f56dd701066
출처 데이터셋
uspto-grants-2010_07
특허 번호
US07750021B2

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