HuagongsheHuagongshe Chemistry Print Report · For research reference only
Bromine → 6-Bromo-7-(1,1-dimethylethyl)-2-(trifluoromethyl)-2h-1-benzopyran-3-carboxylic acid
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Bromine | HCID 24408 | — |
| Reactant | 7-(1,1-Dimethylethyl)-2-trifluoromethyl-2h-1-benzopyran-3-carboxylic acid | HCID 9904406 | — |
| Catalyst | Iron | HCID 23925 | — |
| Solvent | Chloroform | HCID 6212 | — |
| Product | 6-Bromo-7-(1,1-dimethylethyl)-2-(trifluoromethyl)-2h-1-benzopyran-3-carboxylic acid | HCID 21883679 | — |
Reaction Steps
7-(1,1-Dimethylethyl-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid (Example 12) (0.6 g, 2 mmol), chloroform (50 mL), iron filings (0.01 g, 0.2 mmol), and bromine (0.48 g, 3.00 mmol) were stirred at reflux for 16 h. The mixture was allowed to cool and was washed with brine (2×50 mL). After drying over MgSO4, the mixture was filtered, concentrated in vacuo, and the residue crystallized from ether-hexanes yielding the title compound as a white solid (0.5 g, 66%): mp 198.6-199.9° C. 1H NMR (acetone-d6/300 MHz) 7.85 (s, 1H), 7.72 (s, 1H), 7.13 (s, 1H), 5.83 (q, 1H, J=7.2 Hz), 1.5 (s, 9H). Anal. Calc'd for C15H14O3F3Br: C, 47.52; H, 3.72; N, 21.07. Found: C, 47.42; H, 3.68; N, 21.15.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06806288B1 |
| Source dataset | uspto-grants-2004_10 |
| ORD ID | ord-35821450adfe47ccb4f2626de69dc380 |
| Source note | uspto-grants-2004_10 |