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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2369833Generated: October 30, 2026

Triethylamine → HCID 178521862, compound

https://huagongshe.com/reaction/2369833

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriethylamineHCID 8471—
Reactant1-Chloro-4-isocyanato-2-(trifluoromethyl) benzeneHCID 2733265—
ReactantHCID 178420467HCID 178420467—
SolventAcetonitrileHCID 6342—
ProductHCID 178521862HCID 17852186223.4%

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08710038B2
Source datasetuspto-grants-2014_04
ORD IDord-e229941e12ae4aad942350723b17df3a
Source noteuspto-grants-2014_04