HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Fluorophenyl isocyanate → HCID 11567937, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 3-Fluorophenyl isocyanate | HCID 123064 | — |
| Reactant | 3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyaniline | HCID 11572741 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 11567937 | HCID 11567937 | 82% |
Reaction Steps
3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenylamine (0.033 g, 0.12 mmol) was treated with 3-fluorophenyl isocyanate (0.017 g, 14.3 μL, 0.12 mmol, 1.05 equiv.) in CH2Cl2 (1 mL), in a similar manner as described in Example 1.2 to afford Compound 18 (0.040 g, 0.09 mmol, 82%) as a white solid. LCMS m/z (%)=419 (M+H79Br, 100), 421 (M+H81Br, 91). 1H NMR (400 MHz, acetone-d6) δ: 8.31 (s, 1H), 8.17 (s, 1H), 7.69 (dd, J=2.7, 9.0 Hz, 1H), 7.59 (dt, J=2.2, 12.0 Hz, 1H), 7.50 (s, 1H), 7.43 (d, J=2.6 Hz, 1H), 7.27 (dd, J=8.1, 15.0 Hz, 1H), 7.11-7.19 (m, 2H), 6.73 (ddd, J=2.4, 8.4 Hz, 1H), 3.82 (s, 1H), 3.69 (s, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08871797B2 |
| Source dataset | uspto-grants-2014_10 |
| ORD ID | ord-ed37ba2ade7b4f868c88885743afdabf |
| Source note | uspto-grants-2014_10 |