4-Chloro-2-fluorophenyl isocyanate → HCID 52933908, compound

Participants

Role	Name	HCID	Charge
Reactant	4-Chloro-2-fluorophenyl isocyanate	HCID 4558203	—
Reactant	Methyl 3-methyl-2-(4-(4-nitrophenyl)thiazole-2-carboxamido)butanoate	HCID 67150325	—
Product	HCID 52933908	HCID 52933908	—

Reaction Steps

The title compound was synthesized analogous to Example 23, using 4-chloro-2-fluoro-1-isocyanatobenzene and intermediate 3. 1HNMR (DMSO-d6, 300 MHz): δ 9.281 (s, 1H), 8.824-8.796 (d, J=8.4 Hz, 1H), 8.703 (s, 1H), 8.330 (s, 1H), 8.227-8.168 (t, J=8.7, 9 Hz, 1H), 8.069-8.040 (d, J=8.7 Hz, 2H), 7.589-7.560 (s, J=8.7 Hz, 2H), 7.508-7.463 (d, J=2.1, 11.1 Hz, 1H), 7.268-7.238 (d, J=9 Hz, 1H), 4.395-4.343 (t, J=7.8 Hz, 1H), 3.700 (s, 3H), 2.341-2.273 (m, 1H), 1.000-0.953 (t, J=6.9, 7.2 Hz, 6H); MS (ESI) m/z 503 (M−H), 505 (M+H)+.

Provenance & Evidence

DOI	10.6084/m9.figshare.5104873.v1
Patent number	US08722901B2
Source dataset	uspto-grants-2014_05
ORD ID	ord-17c79943ce314770bbbcd9d5dd8f03b9
Source note	uspto-grants-2014_05