HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Chlorophenyl Isocyanate → HCID 11583429, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Chlorophenyl Isocyanate | HCID 7693 | — |
| Reactant | HCID 23139451 | HCID 23139451 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 11583429 | HCID 11583429 | 56% |
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-chlorophenyl isocyanate (0.02 g, 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 41 (0.03 g, 0.06 mmol, 56% yield) as a white solid: LCMS m/z (%)=459 (M+H35Cl, 100), 461 (M+H35Cl37Cl, 84), 463 (M+H37Cl, 10). 1H NMR (400 MHz, MeOH-d4) δ: 7.59 (dd, J=8.0, 4.0 Hz, 1H), 7.41 (dd, J=8.0, 8.0 Hz, 2H), 7.40 (dd, J=8.0, 1H), 7.27 (d, J=8.0 Hz, 2H), 7.17 (d, J=12.0 Hz, 1H), 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-b74f9673d90b47a490f02518e53bbfdf |
| Source note | uspto-grants-2014_10 |