HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Ethynyl-3-(trifluoromethyl)benzene → HCID 67545306, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1-Ethynyl-3-(trifluoromethyl)benzene | HCID 2778490 | — |
| Reactant | HCID 67545475 | HCID 67545475 | — |
| Product | HCID 67545306 | HCID 67545306 | — |
Reaction Steps
The coupling of 2-methyl-6,7,8,9,10,11-hexahydro-5H-7,11-epiminocycloocta[b]indole (1132 mg, 5.0 mmol; Example 118A) and 1-ethynyl-3-(trifluoromethyl)benzene (1701 mg, 10.0 mmol; Aldrich) was performed according to the procedure described in Example 20 to afford the title compound as the minor isomeric product: 1H NMR (300 MHz, methanol-d4) δ ppm 1.26-1.44 (m, J=27, 14, 4, 4 Hz, 1H), 1.46-1.58 (m, 1H), 1.67 (dd, J=15, 2 Hz, 1H), 1.86-2.18 (m, 3H), 2.40 (s, 3H), 2.68 (d, J=18 Hz, 1H), 3.24-3.31 (m, 1H), 4.01 (t, J=6 Hz, 1H), 5.04 (t, J=3 Hz, 1H), 6.84 (d, J=9 Hz, 1H), 6.92-7.03 (m, 3H), 7.18-7.24 (m, 2H), 7.29-7.39 (m, 2H), 7.44-7.50 (m, 1H); MS (DCI/NH3) m/z 397 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09063126B2 |
| Source dataset | uspto-grants-2015_06 |
| ORD ID | ord-ba14f7ac7e2348fdb67dc8a829982d90 |
| Source note | uspto-grants-2015_06 |