Trifluoroacetic acid → {5-[(4-Chloro-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

HRID 15547

반응식

HRID 15547 반응식
C([O:5][C:6](=[O:39])[CH2:7][N:8]1[C:12]2[CH:13]=[CH:14][C:15]([N:17]([CH2:28][C:29]3[CH:34]=[CH:33][C:32]([Cl:35])=[CH:31][CH:30]=3)[S:18]([C:21]3[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=3)(=[O:20])=[O:19])=[CH:16][C:11]=2[N:10]=[C:9]1[CH2:36][CH2:37][CH3:38])(C)(C)C.C(O)(C(F)(F)F)=O>>[Cl:35][C:32]1[CH:31]=[CH:30][C:29]([CH2:28][N:17]([S:18]([C:21]2[CH:22]=[CH:23][C:24]([F:27])=[CH:25][CH:26]=2)(=[O:20])=[O:19])[C:15]2[CH:14]=[CH:13][C:12]3[N:8]([CH2:7][C:6]([OH:39])=[O:5])[C:9]([CH2:36][CH2:37][CH3:38])=[N:10][C:11]=3[CH:16]=2)=[CH:34][CH:33]=1

참가 물질

3

반응물 2

HCID 6422Trifluoroacetic acidHCID 67199541{5-[(4-Chloro-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester

생성물 1

HCID 11670790{5-[(4-Chloro-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

실험 절차

{5-[(4-Chloro-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester was treated with TFA (2 mL) for 2 hours, concentrated, and purified by preparative LCMS to give the title compound. 1H NMR (d6-DMSO) δ7.72 (m, 2H), 7.48 (m, 2H), 7.31 (m, 4H), 7.18 (d, 1H), 7.08 (d, 1H), 6.72 (dd, 1H), 4.81 (s, 2H), 4.35 (s, 2H), 2.67 (t, 2H), 1.72 (m, 2H), 0.94 (t, 3H). MS calculated for C25H23FClN3O4S—H: 514, observed: 514.

후처리

  1. concentrationconcentrated
  2. custompurified by preparative LCMS

출처 및 근거

ORD 기록
ord-0c9c985e132045989bbe9ab4fbfaf100
출처 데이터셋
uspto-grants-2010_06
특허 번호
US07732618B2

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