4-Bromobenzoic acid → 4-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-2-chloro-phenyl]-piperazin-1-yl}-benzoic acid

反応式

[C:1]([C:5]1[CH:6]=[C:7]([NH:11][C:12](=[O:26])[C:13]2[CH:18]=[CH:17][C:16]([N:19]3[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]3)=[C:15]([Cl:25])[CH:14]=2)[CH:8]=[CH:9][CH:10]=1)([CH3:4])([CH3:3])[CH3:2].Br[C:28]1[CH:36]=[CH:35][C:31]([C:32]([OH:34])=[O:33])=[CH:30][CH:29]=1.C(C1C=C(NC(C2C=CC(N3CCN(C4C=CC(C(O)=O)=CC=4)CC3)=C(F)C=2)=O)C=CC=1)(C)(C)C>>[C:1]([C:5]1[CH:6]=[C:7]([NH:11][C:12]([C:13]2[CH:18]=[CH:17][C:16]([N:19]3[CH2:20][CH2:21][N:22]([C:28]4[CH:36]=[CH:35][C:31]([C:32]([OH:34])=[O:33])=[CH:30][CH:29]=4)[CH2:23][CH2:24]3)=[C:15]([Cl:25])[CH:14]=2)=[O:26])[CH:8]=[CH:9][CH:10]=1)([CH3:4])([CH3:2])[CH3:3]

参加物

反応物 3

HCID 114644-Bromobenzoic acid

HCID 59318031N-(3-tert-Butyl-phenyl)-3-chloro-4-piperazin-1-yl-benzamide

HCID 593181934-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-2-fluoro-phenyl]-piperazin-1-yl}-benzoic acid

生成物 1

HCID 593181924-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-2-chloro-phenyl]-piperazin-1-yl}-benzoic acid

実験手順

4-{4-[4-(3-tert-Butyl-phenylcarbamoyl)-2-chloro-phenyl]-piperazin-1-yl}-benzoic acid was synthesized by the coupling of N-(3-tert-Butyl-phenyl)-3-chloro-4-piperazin-1-yl-benzamide and 4-bromo benzoic acid in a manner similar to the one described in the synthesis of 4-{4-[4-(3-tert-butyl-phenylcarbamoyl)-2-fluoro-phenyl]-piperazin-1-yl}-benzoic acid above. LCMS calcd for C28H30ClN3O3 (m/e) 491, obsd 490 (M−H)