HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(Trifluoromethyl)phenyl isocyanate → HCID 11684204, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3-(Trifluoromethyl)phenyl isocyanate | HCID 9483 | — |
| Reactant | 3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyaniline | HCID 11572741 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 11684204 | HCID 11684204 | 66.7% |
Reaction Steps
3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenylamine (0.035 g, 0.12 mmol) was treated with α,α,α-trifluoro-m-tolylisocyanate (0.025 g, 18.0 μL, 0.13 mmol, 1.05 equiv.) in CH2Cl2 (1 mL), in a similar manner as described in Example 1.2 to afford Compound 11 (0.038 g, 0.080 mmol, 65%) as a white solid. LCMS m/z (%)=469 (M+H79Br, 91), 471 (M+H81Br, 100). 1H NMR (400 MHz, acetone-d6) δ: 8.42 (s, 1H), 8.23 (s, 1H), 8.07 (s, 1H), 7.64-7.73 (m, 2H), 7.45-7.53 (m, 2H), 7.44 (s, 1H), 7.30 (d, J=7.6 Hz, 1H), 7.15 (d, J=8.9 Hz, 1H), 3.82 (s, 3H), 3.69 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08871797B2 |
| Source dataset | uspto-grants-2014_10 |
| ORD ID | ord-08ab7695b47847f99ea6c0fdb9ba2406 |
| Source note | uspto-grants-2014_10 |