HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Trifluoromethyl)phenyl isocyanate → HCID 11374796, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-(Trifluoromethyl)phenyl isocyanate | HCID 73768 | — |
| Reactant | 3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyaniline | HCID 11572741 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 11374796 | HCID 11374796 | 85% |
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-p-tolyl isocyanate (0.024 g, 19.0 μL, 0.13 mmol, 1.05 equiv.) in CH2Cl2 (1 mL), in a similar manner as described in Example 1.2 to afford Compound 12 (0.048 g, 0.102 mmol, 83%) as a white solid. LCMS m/z (%)=469 (M+H79Br, 92), 471 (M+H81Br, 100). 1H NMR (400 MHz, acetone-d6) δ: 8.51 (s, 1H), 8.27 (s, 1H), 7.76 (d, J=8.3 Hz, 2H), 7.71 (dd, J=2.3, 9.0 Hz, 1H), 7.62 (d, J=8.4 Hz, 2H), 7.52 (s, 1H), 7.46 (d, J=2.3 Hz, 1H), 7.16 (d, J=8.9 Hz, 1H), 3.84 (s, 3H), 3.70 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08871797B2 |
| Source dataset | uspto-grants-2014_10 |
| ORD ID | ord-e4c81334f39547cbae614cd426340499 |
| Source note | uspto-grants-2014_10 |