HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzene, 1-chloro-3-isocyanato- → HCID 23139418, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Benzene, 1-chloro-3-isocyanato- | HCID 17968 | — |
| Reactant | 3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)4-methoxy-phenylamine | HCID 23139518 | — |
| Product | HCID 23139418 | HCID 23139418 | 49.2% |
Reaction Steps
3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenylamine (30 mg, 0.13 mmol) was treated with 3-Chlorophenyl isocyanate (17 μL, 0.14 mmol) in a similar manner to Example 1.53, providing 25 mg (46%) of Compound 91: LCMS m/z (%)=391 (M+H35Cl, 100), 393 (M+H37Cl, 70). 1H NMR (400 MHz, acetone-d6) δ: 8.51 (s, 1H), 8.41 (s, 1H), 7.84 (t, 1H), 7.71 (dd, J1=8 Hz, J2=4 Hz, 1H), 7.49 (s, 1H), 7.49 (d, J=2 Hz, 1H), 7.38 (d, J=8 Hz, 1H), 7.29 (t, 1H), 7.16 (d, J=8 Hz, 1H), 7.01 (d, J=8 Hz, 1H), 3.84 (s, 3H), 3.68 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08754238B2 |
| Source dataset | uspto-grants-2014_06 |
| ORD ID | ord-296cc3a4c661412ba8ee64a190c4f336 |
| Source note | uspto-grants-2014_06 |