HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-5-(trifluoromethyl)benzaldehyde → (7bR,11aS)-N-[2-chloro-5-(trifluoromethyl)benzyl]-1,2,7b,8,9,10,11,11a-octahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indol-6-amine
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-Chloro-5-(trifluoromethyl)benzaldehyde | HCID 688181 | — |
| Reactant | 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 | — |
| Product | (7bR,11aS)-N-[2-chloro-5-(trifluoromethyl)benzyl]-1,2,7b,8,9,10,11,11a-octahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indol-6-amine | HCID 59984904 | — |
Reaction Steps
Using 2-chloro-5-(trifluoromethyl)benzaldehyde 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 153. 1H NMR(CDCl3) δ: 9.20-9.05 (broad m, 2H), 7.67 (s, 1H), 7.52-7.40 (m, 2H), 6.43 (broad s, 1H), 6.32 (broad s, 1H), 4.39 (broad s, 2H), 4.35-4.10 (m, 2H), 3.75-3.30 (overlapping m, 4H), 3.30-2.79 (overlapping m, 5H), 2.65-2.50 (m, 1H), 2.20-2.05 (m, 2H). LRMS (ES)+: 454.4 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06699852B2 |
| Source dataset | uspto-grants-2004_03 |
| ORD ID | ord-6d10b81d36c544cabe8ed25ba9ea233a |
| Source note | uspto-grants-2004_03 |