化工社化工社 化学情報印刷レポート · 研究参考用
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
関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|---|---|---|
| 反応物 | 2-Cyanobenzaldehyde | HCID 101209 | — |
| 反応物 | 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 | — |
| 生成物 | 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 | HCID 60071839 | — |
反応手順
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)+.
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 特許番号 | US06699852B2 |
| 出典データセット | uspto-grants-2004_03 |
| ORD ID | ord-85e32a3187db46fe869da3d8d458249c |
| 出典メモ | uspto-grants-2004_03 |