Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → 2-[(7-Benzyloxy-isoquinoline-3-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid methyl ester
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 2733084 | — |
| 반응물 | methyl 2-amino-1H-benzo[d]imidazole-4-carboxylate | HCID 24730367 | — |
| 반응물 | 7-Benzyloxy-isoquinoline-3-carboxylic acid | HCID 66940215 | — |
| 용매 | Dimethylformamide | HCID 6228 | — |
| 용매 | Diisopropylethylamine | HCID 81531 | — |
| 생성물 | 2-[(7-Benzyloxy-isoquinoline-3-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid methyl ester | HCID 58724418 | 88.4% |
반응 단계
0.70 g (2.5 mmol) of 7-benzyloxy-isoquinoline-3-carboxylic acid synthesized above, 1.0 g (2.7 mmol) of HBTU in a mixture of 7.5 ml of DMF and 1.7 mL of DIEA was reacted with 0.48 g (2.5 mmol) of 2-Amino-3H-benzoimidazole-4-carboxylic acid methyl ester (Intermediate A) as described in general procedure A. 2-[(7-Benzyloxy-isoquinoline-3-carbonyl)-amino]-1H-benzoimidazole-4-carboxylic acid methyl ester (1.0 g, 88%) was isolated after column chromatography using 1:1 ethyl acetate and hexane as an eluents. LCMS: 453 (M+1)+.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US08598353B2 |
| 출처 데이터셋 | uspto-grants-2013_12 |
| ORD ID | ord-a6e81765c92649689ffb9afff313c19f |
| 출처 메모 | uspto-grants-2013_12 |