Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-Fluoro-2-(trifluoromethyl)benzaldehyde → (7bR,11aS)-N-[4-fluoro-2-(trifluoromethyl)benzyl]-1,2,7b,8,9,10,11,11a-octahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indol-6-amine
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | 4-Fluoro-2-(trifluoromethyl)benzaldehyde | HCID 522940 | — |
| 반응물 | tert-butyl (7bR,11aS)-6-amino-1,2,7b,10,11,11a-hexahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indole-9(8H) carboxylate | HCID 86586437 | — |
| 생성물 | (7bR,11aS)-N-[4-fluoro-2-(trifluoromethyl)benzyl]-1,2,7b,8,9,10,11,11a-octahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indol-6-amine | HCID 60071884 | — |
반응 단계
Using 4-fluoro-2-(trifluoromethyl)benzaldehyde and following the procedures described in EXAMPLE 126, tert-butyl (7bR,11aS)-6-amino-1,2,7b,10,11,11a-hexahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indole-9(8H)-carboxylate from EXAMPLE 33, Part B was converted into the title compound of EXAMPLE 154. 1H NMR(CDCl3) δ: 9.30 (broad s, 1H), 9.15 (broad s, 1H), 7.60-7.52 (m, 1H), 7.38-7.25 (m, 1H), 7.13 (broad t, 1H, J=8.0 Hz), 6.30-6.15 (broad m, 2H), 4.45-4.25 (broad m, 2H), 4.17-3.98 (broad m, 2H)1 3.70-3.30 (m, 4H), 3.30-2.70 (broad m, 5H), 2.60-2.47 (m, 1H), 2.20-2.00 (m, 2H). LRMS (ES)+: 438.4 (M+H)+.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US06699852B2 |
| 출처 데이터셋 | uspto-grants-2004_03 |
| ORD ID | ord-283ee36fdb0849e6b68f6a949acfce4b |
| 출처 메모 | uspto-grants-2004_03 |