HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Fluorophenylboronic acid → 2-Cyclopropyl-3-(4-fluoro-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Fluorophenylboronic acid | HCID 285645 | — |
| Reactant | 2-cyclopropyl-3-trifluoromethanesulfonyloxy-4,5,7,8-tetrahydro-2H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester | HCID 86598392 | — |
| Product | 2-Cyclopropyl-3-(4-fluoro-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene | HCID 11414582 | 105% |
Reaction Steps
The title compound (134 mg) was prepared according to Example 281 using 200 mg of 2-cyclopropyl-3-trifluoromethanesulfonyloxy-4,5,7,8-tetrahydro-2H-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester (Example 281, Step C) and 92 mg of 4-fluorophenylboronic acid. MS (ESI): exact mass calculated for C16H18FN3, 271.15. found, m/z 272.5 [M+H]+. 1H NMR (500 MHz, CD3OD): 7.51-7.47 (m, 2H), 7.31-7.27 (m, 2H), 3.55-3.51 (m, 1H), 3.41-3.39 (m, 2H), 3.23-3.14 (m, 2H), 3.00-2.83 (m, 2H), 0.93-0.084 (m, 4H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07897771B2 |
| Source dataset | uspto-grants-2011_03 |
| ORD ID | ord-b0e247e977864f3293dc838bc085c597 |
| Source note | uspto-grants-2011_03 |