4-(4-Hydroxyphenyl)thiophene-3-carbonitrile → HCID 178499106, compound

Participants

Role	Name	HCID	Charge
Reactant	4-(4-Hydroxyphenyl)thiophene-3-carbonitrile	HCID 59447572	—
Reactant	ethyl 5-(4-((4-(5-amino-1-(tert-butoxycarbonyl)-4-cyano-1H-pyrazol-3-yl)phenoxy)methyl)phenyl)-2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate	HCID 59447596	—
Reactant	tert-butyl 5-amino-4-cyano-3-(4-hydroxyphenyl)-1H-pyrazole-1-carboxylate	HCID 136027725	—
Reactant	HCID 178499108	HCID 178499108	—
Product	HCID 178499106	HCID 178499106	—

Reaction Steps

The title compound 60A was prepared in a similar manner to the synthesis of compound 35A by substituting compound 34D and compound 31F with compound 45D and compound 51A, respectively: ESI (+)/LC/MS: 892 (M+NH4—H2O)+: 1H NMR (DMSO-d6): δ 9.99 (s, 1H), 8.58 (s, 1H), 8.21 (d, J=6.71 Hz, 1H), 7.92 (d, J=7.32 Hz, 1H), 7.66-7.68 (m, 2H), 7.52-7.55 (m, 1H), 7.32-7.41 (m, 5H), 6.92 (d, J=8.24 Hz, 1H), 5.97 (s, 2H), 5.08 (s, 2H), 4.35 (s, 2H), 3.78 (s, 3H), 3.64-3.68 (m, 2H), 2.98 (t, J=5.8 Hz, 2H), 0.84-0.87 (m, 2H), −0.22 (s, 9H). ESI (+)/MS: 794 (M+H)+.

Provenance & Evidence

DOI	10.6084/m9.figshare.5104873.v1
Patent number	US08232273B2
Source dataset	uspto-grants-2012_07
ORD ID	ord-6bc5a4f7d5ef401887993b2e30ef44c3
Source note	uspto-grants-2012_07