Trifluoroacetic acid → 1-{2-[6-(1,4-Oxazepan-4-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-1,2,3-triazole-4-carbonitrile

Participants

Role	Name	HCID	Charge
Reactant	Trifluoroacetic acid	HCID 6422	—
Reactant	4-(6-Hydrazinylpyrimidin-4-yl)-1,4-oxazepane	HCID 57925070	—
Reactant	Ethyl 2-(4-cyanotriazol-1-yl)-3-(dimethylamino)prop-2-enoate	HCID 66725972	—
Solvent	Water	HCID 962	—
Product	1-{2-[6-(1,4-Oxazepan-4-yl)pyrimidin-4-yl]-3-oxo-2,3-dihydro-1H-pyrazol-4-yl}-1H-1,2,3-triazole-4-carbonitrile	HCID 57925066	—

Reaction Conditions

Temperature	100 °C

Reaction Steps

A mixture of 200 mg (0.9 mmol) of the compound from Example 7A, 178 mg (0.9 mmol) of the compound from Example 14A and 33 μl (49 mg, 0.4 mmol) of trifluoroacetic acid in 3 ml of water is stirred at 100° C. for 16 h. The precipitated solid is filtered off and washed first with water and then with diethyl ether. The product is dried under reduced pressure. Yield: 80 mg (27% of theory)

Provenance & Evidence

DOI	10.6084/m9.figshare.5104873.v1
Patent number	US08067407B2
Source dataset	uspto-grants-2011_11
ORD ID	ord-2a3973d372c7454f9b093f9953550e16
Source note	uspto-grants-2011_11