HuagongsheHuagongshe Chemistry Print Report · For research reference only
Triethylamine → HCID 178521862, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 1-Chloro-4-isocyanato-2-(trifluoromethyl) benzene | HCID 2733265 | — |
| Reactant | HCID 178420467 | HCID 178420467 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 178521862 | HCID 178521862 | 23.4% |
Reaction Steps
Triethylamine (64 mL, 0.45 mmol) was added to a suspension of N-[4-(3-phenyl-1H-pyrazol-5-yl)aminobenzene (0.102 g, 0.43 mmol) and 4-chloro-3-trifluoromethyl-phenylisocyanate (0.096 g, 0.43 mmol) in anhydrous acetonitrile (2.0 mL) at room temperature. After twelve hours the reaction was concentrated in vacuo and purified on reverse phase HPLC using water-acetonitrile gradient (0.1% TFA) to provide the title compound (23 mg, 16% yield) as a white solid: 1H NMR (400 MHz, DMSO-d6): δ 9.24 (s, 1H), 9.01 (s, 1H), 8.11 (d, J=2.0 Hz, 1H), 7.81 (m, 2H), 7.74 (m, 2H), 7.62 (m, 2H), 7.53 (m, 2H), 7.42 (t, J=8.0 Hz, 2H), 7.32 (t, J=7.6 Hz, 1H), 7.10 (s, 1H); MS (EI) for C23H16ClF3N4O: 457.1 (MH+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08710038B2 |
| Source dataset | uspto-grants-2014_04 |
| ORD ID | ord-e229941e12ae4aad942350723b17df3a |
| Source note | uspto-grants-2014_04 |