2-Chloro-4-(trifluoromethyl)phenyl isocyanate → HCID 52933906, compound

Participants

Role	Name	HCID	Charge
Reactant	2-Chloro-4-(trifluoromethyl)phenyl isocyanate	HCID 5102533	—
Reactant	Methyl 3-methyl-2-(4-(4-nitrophenyl)thiazole-2-carboxamido)butanoate	HCID 67150325	—
Product	HCID 52933906	HCID 52933906	—

Reaction Steps

The title compound was synthesized analogous to Example 23, using 2-chloro-4-(trifluoromethyl)-1-isocyanatobenzene and intermediate 3. 1HNMR (DMSO-d6, 300 MHz): δ 9.801 (s, 1H), 8.832-8.804 (d, J=8.4 Hz, 1H), 8.680 (s, 1H), 8.515-8.486 (d, J=8.7 Hz, 1H), 8.348 (s, 1H), 8.095-8.067 (d, J=8.4 Hz, 2H), 7.897-7.893 (d, J=1.2 Hz, 2H), 7.721-7.686 (dd, J=1.8, 9 Hz, 1H), 7.621-7.593 (d, J=8.4 Hz, 2H), 4.401-4.344 (t, J=8.1, 9 Hz, 1H), 3.702 (s, 3H), 2.351-2.280 (m, 1H), 1.003-0.955 (t, J=7.2 Hz, 6H); MS (ESI) m/z 553 (M−H), 555 (M+H)+.

Provenance & Evidence

DOI	10.6084/m9.figshare.5104873.v1
Patent number	US08722901B2
Source dataset	uspto-grants-2014_05
ORD ID	ord-d18723af0e0d4d9bbfad272963e977c7
Source note	uspto-grants-2014_05