HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Fluorophenyl isocyanate → HCID 11495947, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Fluorophenyl isocyanate | HCID 70955 | — |
| Reactant | HCID 23139451 | HCID 23139451 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 11495947 | HCID 11495947 | 63.6% |
Reaction Steps
3-(4-Chloro-2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-4-methoxy-phenylamine (0.03 g, 0.11 mmol) was treated with 4-fluorophenyl isocyanate (0.02 g, 14.6 μL, 0.13 mmol, 1.2 equiv.) in CH2Cl2 (4.0 mL), in a similar manner as described in Example 1.102. The product was further purified via reverse phase C-18 HPLC to afford Compound 40 (0.03 g, 0.07 mmol, 63% yield) as a white solid: LCMS m/z (%)=443 (M+H37Cl, 100), 445 (M+H35Cl, 36). 1H NMR (400 MHz, MeOH-d4) δ: 7.58 (dd, J=10.0, 2.0 Hz, 1H), 7.42 (dd, J=4.0 Hz, 2H), 7.40 (dd, J=8.0, 4.0 Hz, 1H), 7.16 (d, J=8.0 Hz, 1H), 7.03 (dd, J=10.0, 6.0 Hz, 2H), 3.84 (s, 3H), 3.74 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08871797B2 |
| Source dataset | uspto-grants-2014_10 |
| ORD ID | ord-7110760d50ab4cdcaf47ae6f1567b147 |
| Source note | uspto-grants-2014_10 |