2-Chloro-4-(trifluoromethyl)phenyl isocyanate → HCID 52933419, compound

Participants

Role	Name	HCID	Charge
Reactant	2-Chloro-4-(trifluoromethyl)phenyl isocyanate	HCID 5102533	—
Reactant	Methyl 3-methyl-2-(5-(4-nitrophenyl)thiazole-2-carboxamido)butanoate	HCID 67150324	—
Product	HCID 52933419	HCID 52933419	—

Reaction Steps

The title compound was synthesized analogous to Example 9, using 2-chloro-4-(trifluoromethyl)-1-isocyanatobenzene and intermediate 2. 1HNMR (DMSO-d6, 300 MHz): δ 9.860 (s, 1H), 8.747-8.720 (d, 2H), 8.687 (s, 1H), 8.495-8.465 (d, J=9 Hz, 1H), 8.376 (s, 1H), 7.892 (s, 1H), 7.769-7.741 (d, J=8.4 Hz, 2H), 7.718-7.688 (d, J=9 Hz, 1H), 7.611-7.582 (d, J=8.7 Hz, 2H), 4.351-4.301 (t, J=7.5 Hz, 1H), 3.682 (s, 3H), 2.285-2.262 (m, 1H), 0.967-0.924 (t, J=6.6 Hz, 6H); MS (ESI) m/z 555 (M+H).

Provenance & Evidence

DOI	10.6084/m9.figshare.5104873.v1
Patent number	US08722901B2
Source dataset	uspto-grants-2014_05
ORD ID	ord-0ba704cdec6d4effa1f02c9b4f52f618
Source note	uspto-grants-2014_05