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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2369839Generated: October 28, 2026

Phenyl isocyanate → HCID 178521957, compound

https://huagongshe.com/reaction/2369839

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPhenyl isocyanateHCID 7672—
ReactantTriethylamineHCID 8471—
ReactantHCID 178507391HCID 178507391—
SolventAcetonitrileHCID 6342—
ProductHCID 178521957HCID 17852195736%

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08710038B2
Source datasetuspto-grants-2014_04
ORD IDord-bd3860c8b9474406904ed2caaafa7333
Source noteuspto-grants-2014_04