Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
o-(Trifluoromethyl)benzaldehyde → (7bR,11aS)-N-[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 | o-(Trifluoromethyl)benzaldehyde | HCID 123067 | — |
| 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-[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 60071910 | — |
반응 단계
Using 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 157. 1H NMR (CDCl3) δ: 7.69 (d, 1H, J=8.0 Hz), 7.64 (d, 1H, J=7.7 Hz), 7.52 (t, 1H, J=7.5 Hz), 7.38 (t, 1H, J=7.7 Hz), 6.31 (d, 1H, J=2.2 Hz), 6.22 (d, 1H, J=2.2 Hz), 4.48 (broad s, 2H), 3.67 (ABq, 2H, JAB=15.6 Hz), 3.57-3.50 (m, 1H), 3.40-3.30 (m, 2H), 3.15-2.90 (m, 6H), 2.60 (dd, 1H, J=13.2, 9.6 Hz), 2.20-1.97 (m, 2H). LRMS (ES)+: 420.4 (M+H)+.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US06849619B2 |
| 출처 데이터셋 | uspto-grants-2005_02 |
| ORD ID | ord-5c47d33c95054a8faf7cafb419cab30d |
| 출처 메모 | uspto-grants-2005_02 |