HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 123505138, compound → HCID 131733407, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | HCID 123505138 | HCID 123505138 | — |
| Catalyst | palladium(II) acetate | HCID 167845 | — |
| Product | HCID 131733407 | HCID 131733407 | 117.1% |
Reaction Steps
Using general procedure E, 1-azabicyclo[2.2.2]oct-3-yl[2-(3-bromo-4-fluorophenyl)propan-2-yl]carbamate (125 mg, 0.324 mmol), 4-fluoroboronic acid (64 mg, 0.46 mmol) and palladium (II) acetate gave the title compound as a white solid (76 mg, 56%). 1H NMR (400 MHz, CDCl3) δ 7.48 (t, 2H), 7.44-7.29 (m, 2H), 7.21-7.00 (m, 3H), 5.27 (s, 1H), 4.68-4.55 (m, 1H), 3.29-2.10 (m, 6H), 1.67 (d, J=9.4 Hz, 6H), 2.01-0.69 (m, 5H) ppm. 13C NMR (100 MHz, CDCl3) δ 163.9, 161.4, 159.8, 157.3, 154.8, 143.5, 132.2, 130.9, 127.9, 127.8, 127.4, 125.9, 125.8, 116.2, 116.0, 115.7, 115.5, 71.4, 66.1, 55.9, 47.6, 46.7, 30.0, 39.7, 25.6, 24.8, 19.8 ppm. Purity: 98% UPLCMS (210 nm); retention time 0.96 min; (M+1) 400.9.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09126993B2 |
| Source dataset | uspto-grants-2015_09 |
| ORD ID | ord-4beeeffe6db54d70ac708c60874dc1ad |
| Source note | uspto-grants-2015_09 |