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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1024465Generated: October 30, 2026

2-Chloro-4-(trifluoromethyl)phenyl isocyanate → (S)-methyl 2-(5-(4-(3-(2-chloro-4-(trifluoromethyl)phenyl)ureido) phenyl)oxazole-2-carboxamido)-3-methylbutanoate

https://huagongshe.com/reaction/1024465

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-Chloro-4-(trifluoromethyl)phenyl isocyanateHCID 5102533—
ReactantMethyl 2-(5-(4-aminophenyl)oxazole-2-carboxamido)-3-methylbutanoateHCID 67150345—
Product(S)-methyl 2-(5-(4-(3-(2-chloro-4-(trifluoromethyl)phenyl)ureido) phenyl)oxazole-2-carboxamido)-3-methylbutanoateHCID 52932941—

Reaction Steps

The title compound was synthesized analogous to Example 1, using 2-chloro-4-(trifluoromethyl)-1-isocyanatobenzene (0.533 mmol) and intermediate 1. 1H NMR (DMSO-d6, 300 MHz): δ 9.883 (s, 1H), 9.025-8.998 (d, 1H), 8.707 (s, 1H), 8.498-8.469 (d, J=8.7 Hz, 1H), 7.904-7.898 (d, J=1.8 Hz, 1H), 7.842 (s, 1H), 7.837-7.807 (d, J=9 Hz, 2H), 7.723-7.688 (dd, J=1.8, 9 Hz, 1H), 7.653-7.624 (d, J=8.7 Hz, 2H), 4.332-4.2827 (m, 1H), 3.682 (s, 3H), 2.228-2.219 (m, 1H), 0.982-0.960 (d, J=6.6 Hz, 6H); MS (ESI) m/z 537 (M−H), 539 (M+H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08722901B2
Source datasetuspto-grants-2014_05
ORD IDord-d28b5f1c9a6c46e594f54de119de9276
Source noteuspto-grants-2014_05