Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,5-Difluorobenzaldehyde → (7bR,11aS)-N-(2,5-difluorobenzyl)-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 | 2,5-Difluorobenzaldehyde | HCID 137663 | — |
| 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-(2,5-difluorobenzyl)-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 60071802 | — |
반응 단계
Using 2,5-difluorobenzaldehyde 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 159. 1H NMR(CDCl3) δ: 7.05-6.98 (m, 1H), 6.97-6.90 (m, 1H), 6.90-6.80 (m, 1H), 6.26 (d, 1H, J=2.5 Hz), 6.14 (d, 1H, J=2.2 Hz), 4.23 (broad s, 2H), 3.59 (ABq, 2H), 3.50-3.40 (m, 1H), 3.30-3.17 (m, 2H), 3.05-2.65 (m, 6H), 2.51 (dd, 1H, J=12.7, 9.5 Hz), 1.92-1.78 (m, 2H). LRMS (ES)+: 388.4 (M+H)+.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US06699852B2 |
| 출처 데이터셋 | uspto-grants-2004_03 |
| ORD ID | ord-5fd6fab9a5ea4c578eed07dceccb1c4a |
| 출처 메모 | uspto-grants-2004_03 |