Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Isobutyric Acid → N-(5-((4-(Hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-yl)isobutyramide
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Isobutyric Acid | HCID 6590 | — |
| 반응물 | Triethylamine | HCID 8471 | — |
| 반응물 | 1-Hydroxybenzotriazole | HCID 75771 | — |
| 반응물 | Edci wsc | HCID 25127565 | — |
| 반응물 | (1-((1-Amino-2,3-dihydro-1H-inden-5-yl)methyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol | HCID 58230802 | — |
| 용매 | Dimethylformamide | HCID 6228 | — |
| 생성물 | N-(5-((4-(Hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-1-yl)isobutyramide | HCID 67088099 | 29.4% |
반응 단계
To a solution of (1-((1-amino-2,3-dihydro-1H-inden-5-yl)methyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol (0.096 mmol, 30 mg), isobutyric acid (0.096 mmol, 8.94 μL 8.49 mg), triethylamine (0.193 mmol, 0.027 ml, 19.50 mg) and HOBt (0.096 mmol, 13.02 mg) in DMF (0.8 mL) was added EDCI/WSC (0.096 mmol, 18.47 mg). The whole was stirred at room temperature overnight before the reaction mixture was quenched by the addition of MeOH (100 μL) before being purified by prep HPLC to give a white solid (10.8 mg, 0.028 mmol, 29.4%). MS (ESI): m/z [M+H]+ 382.2
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US08536214B2 |
| 출처 데이터셋 | uspto-grants-2013_09 |
| ORD ID | ord-e4d6e30b3c9e4b2e8de4bb32c437376d |
| 출처 메모 | uspto-grants-2013_09 |