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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 519883Generated: October 26, 2026

N,N-Diethylaniline → 4'-{[7-Butyl-4-(1,4-dioxaspiro[4.5]dec-8-yl)-5-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-3'-fluorobiphenyl-2-carbonitrile

https://huagongshe.com/reaction/519883

Reaction equation

Participants

RoleNameHCIDCharge
ReactantN,N-DiethylanilineHCID 7061—
Reactant1,8-Diazabicyclo(5.4.0)undec-7-eneHCID 81184—
ReactantMethyl 2-[(2'-cyano-3-fluorobiphenyl-4-yl)methyl]-3-oxoheptanoateHCID 57460325—
ReactantN-(1,4-dioxaspiro[4.5]dec-8-yl)-4H-1,2,4-triazol-3-amineHCID 178420920—
SolventHydrochloric AcidHCID 313—
Product4'-{[7-Butyl-4-(1,4-dioxaspiro[4.5]dec-8-yl)-5-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-3'-fluorobiphenyl-2-carbonitrileHCID 6700912860%

Reaction Conditions

Temperature180 °C

Reaction Steps

A mixture of methyl 2-[(2′-cyano-3-fluorobiphenyl-4-yl)methyl]-3-oxoheptanoate (6.55 g), N-(1,4-dioxaspiro[4.5]dec-8-yl)-4H-1,2,4-triazol-3-amine (2.00 g), 1,8-diazabicyclo[5.4.0]undec-7-ene (0.5 mL) and N,N-diethylaniline (20 mL) was stirred at 180° C. overnight, allowed to cool, and poured into 1 M hydrochloric acid (100 mL), and the mixture was extracted with ethyl acetate. The ethyl acetate layer was washed with saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure, and the residue was purified by silica gel column chromatography to give the title compound as a pale-yellow oil (2.88 g, 60%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09115136B2
Source datasetuspto-grants-2015_08
ORD IDord-1e571b6ffad94378960ae7ca2bf9448d
Source noteuspto-grants-2015_08