2-Cyanobenzaldehyde → 2-([(7bR,11aS)-1,2,7b,8,9,10,11,11a-octahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indol-6-ylamino]methyl]benzonitrile

HRID 47580

반응식

[C:1]([C:3]1[CH:10]=[CH:9][CH:8]=[CH:7][C:4]=1[CH:5]=O)#[N:2].[NH2:11][C:12]1[CH:13]=[C:14]2[C:18]3=[C:19]([CH2:21][S:22][CH2:23][CH2:24][N:17]3[C@H:16]3[CH2:25][CH2:26][N:27](C(OC(C)(C)C)=O)[CH2:28][C@@H:15]23)[CH:20]=1>>[CH2:24]1[N:17]2[C:18]3[C:14]([C@@H:15]4[CH2:28][NH:27][CH2:26][CH2:25][C@@H:16]42)=[CH:13][C:12]([NH:11][CH2:5][C:4]2[CH:7]=[CH:8][CH:9]=[CH:10][C:3]=2[C:1]#[N:2])=[CH:20][C:19]=3[CH2:21][S:22][CH2:23]1

참가 물질

반응물 2

HCID 1012092-Cyanobenzaldehyde

HCID 86586437tert-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

생성물 1

HCID 600718392-([(7bR,11aS)-1,2,7b,8,9,10,11,11a-octahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indol-6-ylamino]methyl]benzonitrile

실험 절차

Using 2-cyanobenzaldehyde 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 162. 1H NMR(CDCl3) δ: 8.14 (d, 1H, J=7.7 Hz) 7.63-7.50 (m, 3H), 6.88-6.80 (m, 2H), 7.13 (s, 1H), 6.95 (s, 1H), 4.90 (broad s, 2H), 3.81 (ABq, 2H, JAB=15.7 Hz), 3.71-3.62 (m, 2H), 3.59-3.53 (m, 1H), 3.38-3.30 (m, 1H), 3.29-3.20 (m, 1H), 3.12-2.80 (m, 5H), 1.91-1.80 (m, 2H). LRMS (ES)+: 377.4 (M+H)+.

출처 및 근거

ORD 기록: ord-85e32a3187db46fe869da3d8d458249c
출처 데이터셋: uspto-grants-2004_03
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US06699852B2

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