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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 47558생성일: 2026년 10월 26일

o-(Trifluoromethyl)benzaldehyde → (7bR,11aS)-N-[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/reaction/47558

반응식

참여 물질

역할이름HCID투입량
반응물o-(Trifluoromethyl)benzaldehydeHCID 123067—
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-[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 60071863—

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-[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 128. 1H NMR(CDCl3) δ: 7.72-7.60 (m, 2H), 7.52 (t, 1H, J=7.7 Hz), 7.38 (t, 1H, J=7.5 Hz), 6.39 (d, 1H, J=1.8 Hz), 6.21 (d, 1H, J=1.8 Hz), 4.57 (ABq, 2H, JAB=14.3 Hz), 4.50 (s, 2H), 4.20 (app d, 1H, J=12.0 Hz), 3.74 (app t, 1H), 3.36-3.30 (m, 1H), 3.28-3.18 (m, 2H), 3.08 (dd, 1H, J=12.5, 6.2 Hz), 3.00-2.90 (m, 2H), 2.65 (app t, 1H), 2.50 (app t, 1H), 2.02-1.90 (m, 2H). LRMS (ES)+: 404.3 (M+H)+.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US06699852B2
출처 데이터셋uspto-grants-2004_03
ORD IDord-3716061722c7468cb166ac176285e1e8
출처 메모uspto-grants-2004_03