돌아가기
Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 47561생성일: 2026년 10월 24일

4-Fluoro-2-(trifluoromethyl)benzaldehyde → (7bR,11aS)-N-[4-fluoro-2-(trifluoromethyl)benzyl]-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-amine

https://huagongshe.com/ko/reaction/47561

반응식

참여 물질

역할이름HCID투입량
반응물4-Fluoro-2-(trifluoromethyl)benzaldehydeHCID 522940—
반응물Tert-butyl (7br,11as)-6-amino-1,2,7b,10,11,11a-hexahydro-4h-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indole-9(8h)carboxylateHCID 86586438—
생성물(7bR,11aS)-N-[4-fluoro-2-(trifluoromethyl)benzyl]-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-amineHCID 60071817—

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—[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indole-9(8H)-carboxylate from EXAMPLE 56, Part B was converted into the title compound of EXAMPLE 131. 1H NMR(CDCl3) δ 7.61 (dd, 1H, J=8.4, 5.5 Hz), 7.40 (dd, 1H, J=8.8, 2.8 Hz), 7.19 (td, 1H, J=8.3, 2.6 Hz), 6.35 (d, 1H, J=2.2 Hz), 6.19 (d, 1H, J=2.2 Hz), 4.56 (ABq, 2H, JAB=14.3 Hz), 4.44 (s, 2H), 4.22 (app d, 1H, J=12.8 Hz), 3.92 (broad s, 1H), 3.71 (app t, 1H), 3.38-3.28 (m, 2H), 3.22-3.02 (m, 4H), 2.65 (app t, 1H), 2.53 (app t, 1H), 2.10-2.00 (m, 2H). LRMS (ES)+: 422.3 (M+H)+.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US06699852B2
출처 데이터셋uspto-grants-2004_03
ORD IDord-1e69d59605da420da7d61b8983139755
출처 메모uspto-grants-2004_03