HuagongsheHuagongshe Chemistry Print Report · For research reference only
Phenyl isocyanate → HCID 178521957, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Phenyl isocyanate | HCID 7672 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | HCID 178507391 | HCID 178507391 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 178521957 | HCID 178521957 | 36% |
Reaction Steps
Triethylamine (35 μL, 0.25 mmol) was added to a suspension of 4-[3-(1H-benzimidazol-2-yl)-1H-pyrazol-5-yl]aniline (20 mg, 0.064 mmol) and phenyl isocyanate (7.6 mg, 0.064 mmol) in anhydrous acetonitrile (1.0 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 (9 mg, 36% yield) as a white solid: 1H NMR (400 MHz, DMSO-d6): δ 9.08 (s, 1H), 8.92 (s, 1H), 7.78 (m, 4H), 7.63 (m, 2H), 7.48 (m, 4H), 7.40 (s, 1H), 7.30 (m, 2H), 7.00 (m, 1H); MS (EI) for C23H18N6O: 395.2 (MH+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08710038B2 |
| Source dataset | uspto-grants-2014_04 |
| ORD ID | ord-bd3860c8b9474406904ed2caaafa7333 |
| Source note | uspto-grants-2014_04 |