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

HRID 23281

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][O: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][O:22][CH2:23]1

참가 물질

반응물 2

HCID 1012092-Cyanobenzaldehyde

HCID 86586438Tert-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

생성물 1

HCID 600718012-{[(7bR,11aS)-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]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-[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 138. 1H NMR (CDCl3) δ: 8.42 (d, 1H), 7.67-7.50 (m, 3H), 7.19 (d, 1H, J=2.2 Hz), 6.98 (d, 1H, J=2.2 Hz), 5.32 (s, 2H), 4.65 (ABq, 2H), 4.20-4.15 (m, 1H), 3.83-3.77 (m, 1H), 3.62-3.57 (m, 1H), 3.50-3.45 (m, 1H), 3.28 (dd, 1H), 3.20 (dd, 1H), 3.03-2.96 (m, 2H), 2.90-2.78 (m, 2H), 2.05-1.98 (m, 2H).

출처 및 근거

ORD 기록: ord-841c1eb702af4d019c91ba561ac1191c
출처 데이터셋: uspto-grants-2005_02
DOI: 10.6084/m9.figshare.5104873.v1
특허 번호: US06849619B2

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