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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2399298Generated: October 29, 2026

Octyl isocyanate → Benzhydrol 2-[2-[3-(octyl) ureido]-4-trifluoromethylphenoxy)benzoate

https://huagongshe.com/reaction/2399298

Reaction equation

Participants

RoleNameHCIDCharge
ReactantOctyl isocyanateHCID 76616—
ReactantBenzhydrol 2-(2-amino-4-trifluoromethylphenoxy)benzoateHCID 131719119—
SolventPyridineHCID 1049—
ProductBenzhydrol 2-[2-[3-(octyl) ureido]-4-trifluoromethylphenoxy)benzoateHCID 131719121—

Reaction Steps

Benzhydrol 2-(2-amino-4-trifluoromethylphenoxy)benzoate (700 mg, 0.0015 mol) was dissolved in pyridine and octylisocyanate (412 mg, 0.0027 mol) was added to the mixture at room temperature and stirred for three hours. The solvent was evaporated and the residue was flash chromatographed (silica gel, ethyl acetate/hexane) to give the title compound. 1H NMR (250 MHz, CDCl3) δ8.7 (s, 1H), 8.2 (s, 1H), 7.95 (d, 1H), 7.29 (m, 10H), 7.12 (s, 1H), 7.1 (d, 1H), 7.0 (s, 1H), 6.9 (d, 1H), 4.8 (s, 1H), 3.1 (dd, 1H), 1.28 (s, 14H), 0.85 (t, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05447957
Source datasetuspto-grants-1995_09
ORD IDord-9c438e17448644be9550f2e893b85329
Source noteuspto-grants-1995_09