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

HRID 15553

反応式

HRID 15553 の反応式
C([O:5][C:6](=[O:37])[CH2:7][N:8]1[C:12]2[CH:13]=[CH:14][C:15]([N:17]([CH:28]3[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]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[CH2:34][CH2:35][CH3:36])(C)(C)C.C(O)(C(F)(F)F)=O>>[CH:28]1([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:37])=[O:5])[C:9]([CH2:34][CH2:35][CH3:36])=[N:10][C:11]=3[CH:16]=2)[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1

参加物

3

反応物 2

HCID 6422Trifluoroacetic acidHCID 67199864{5-[(Cyclohexyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid tert-butyl ester

生成物 1

HCID 59342532{5-[(Cyclohexyl)-(4-fluoro-benzenesulfonyl)-amino]-2-propyl-benzoimidazol-1-yl}-acetic acid

実験手順

{5-[(Cyclohexyl)-(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) δ7.81 (m, 1H), 7.42 (m, 3H), 7.08 (d, 1H), 6.79 (dd, 1H), 4.98 (s, 2H), 4.11 (m, 1H), 2.72 (t, 2H), 1.79 (m, 4H), 1.65 (m, 2H), 1.31 (m, 3H), 0.99 (m, 5H), 0.79 (m, 1H). MS calculated for C24H28FN3O4S—H: 472, observed: 472.

後処理

  1. concentrationconcentrated
  2. custompurified by preparative LCMS

出典と根拠

ORDレコード
ord-031926a26ce4405eb64b09f0f7f9dd52
出典データセット
uspto-grants-2010_06
特許番号
US07732618B2

関連ノート

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