HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride) → 7-(3-Chloro-4-fluorophenyl)-5-methyl-5-thien-2-yl-1,5-dihydro-4,1-benzoxazepin-2(H)-one
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride) | HCID 2734660 | — |
| Reactant | 7-Bromo-5-methyl-5-thien-2-yl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one | HCID 68866109 | — |
| Product | 7-(3-Chloro-4-fluorophenyl)-5-methyl-5-thien-2-yl-1,5-dihydro-4,1-benzoxazepin-2(H)-one | HCID 11292160 | — |
Reaction Steps
Prepared from 7-bromo-5-methyl-5-thien-2-yl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one and 3-chloro-4-fluorobenzeneboronic acid generally according to the coupling procedure described in example 1. 1H-NMR (DMSO-d6) δ 10.13 (s, 1H), 7.86 (dd, J=6.8, 2.0 Hz, 1H), 7.64 (m, 2H), 7.55 (m, 2H), 7.48 (t, J=8.8 Hz, 1H), 7.25 (d, J=8.3 Hz, 1H), 6.99 (dd, J=4.9, 3.4 Hz, 1H), 6.91 (dd, J=3.4, 1.0 Hz, 1H), 4.16 (d, J=16.1 Hz, 1H), 4.06 (d, J=16.1 Hz, 1H), 2.08 (s, 3H); MS (ES) m/z 388 (M+H)+; Anal. Calc. For C20H15ClFNO2S: C, 61.93, H, 3.90; N, 3.61. Found: C, 61.88, H, 3.99; N, 3.35.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07598237B2 |
| Source dataset | uspto-grants-2009_10 |
| ORD ID | ord-4773186f7e434862bd24660c3d9b8595 |
| Source note | uspto-grants-2009_10 |