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

HRID 15567

반응식

HRID 15567 반응식
C([O:5][C:6](=[O:43])[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]([O:35][C:36]([F:39])([F:38])[F:37])=[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[CH2:40][CH2:41][CH3:42])(C)(C)C.C(O)(C(F)(F)F)=O>>[F:39][C:36]([F:37])([F:38])[O:35][C:32]1[CH:33]=[CH:34][C:29]([CH2:28][N:17]([S:18]([C:21]2[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=2)(=[O:19])=[O:20])[C:15]2[CH:14]=[CH:13][C:12]3[N:8]([CH2:7][C:6]([OH:43])=[O:5])[C:9]([CH2:40][CH2:41][CH3:42])=[N:10][C:11]=3[CH:16]=2)=[CH:30][CH:31]=1

참가 물질

3

반응물 2

HCID 6422Trifluoroacetic acidHCID 67201038{5-[(4-Trifluoromethoxy-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester

생성물 1

HCID 11512476{5-[(4-Trifluoromethoxy-benzyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

실험 절차

{5-[(4-Trifluoromethoxy-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), 7.44 (m, 4H), 7.23 (m, 3H), 7.16 (d, 1H), 6.79 (m, 1H), 4.88 (s, 2H), 4.54 (s, 2H), 2.68 (t, 2H), 1.72 (m, 2H), 0.95 (t, 3H). MS calculated for C26H23F4N3O5S—H: 564, observed: 564.

후처리

  1. concentrationconcentrated
  2. custompurified by preparative LCMS

출처 및 근거

ORD 기록
ord-9383acaa4ba545139721622813119b53
출처 데이터셋
uspto-grants-2010_06
특허 번호
US07732618B2

연결된 노트

불러오는 중…