Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → HCID 178522531, 화합물

반응식

[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[C:3]([C:11]2[NH:15][C:14]3[CH:16]=[CH:17][CH:18]=[C:19]([C:20](O)=[O:21])[C:13]=3[N:12]=2)[N:2]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[C:47]1([C:53]2[N:54]=[C:55]([NH2:58])[NH:56][CH:57]=2)[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=1>>[C:47]1([C:53]2[N:54]=[C:55]([NH:58][C:20]([C:19]3[C:13]4[N:12]=[C:11]([C:3]5[N:2]=[CH:1][C:10]6[C:5]([CH:4]=5)=[CH:6][CH:7]=[CH:8][CH:9]=6)[NH:15][C:14]=4[CH:16]=[CH:17][CH:18]=3)=[O:21])[NH:56][CH:57]=2)[CH:48]=[CH:49][CH:50]=[CH:51][CH:52]=1

참가 물질

반응물 3

HCID 2733084Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)

HCID 669406062-isoquinolin-3-yl-1H-benzoimidazole-4-carboxylic acid

HCID 178508281HCID 178508281, 화합물

생성물 1

HCID 178522531HCID 178522531, 화합물수율 17.5%

실험 절차

120 mg (0.4 mmol) of 2-isoquinolin-3-yl-1H-benzoimidazole-4-carboxylic acid was reacted with 400 mg (1.1 mmol) of HBTU and 160 mg (1.0 mmol) of 4-phenyl-1H-imidazol-2-ylamine (160 mg, 1 mmol) according to the general procedure A. The residue was purified by flash column chromatography (EtOAc) to provide 2-isoquinolin-3-yl-1H-benzoimidazole-4-carboxylic acid (4-phenyl-1H-imidazol-2-yl)-amide (30 mg, 17.5%). LCMS: 431 (M+1)+.