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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 519514Generated: October 26, 2026

Toluene → HCID 178438729, compound

https://huagongshe.com/reaction/519514

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
ReactantSodium HydroxideHCID 14798—
Reactanttert-Butyl 2-bromopropanoateHCID 545327—
ReactantHCID 178438709HCID 178438709—
CatalystTetrabutylammonium hydrogen sulfateHCID 94433—
SolventWaterHCID 962—
ProductHCID 178438729HCID 17843872996.1%

Reaction Steps

To a mixture of 3′-fluoro-4′-{[4-(trans-4-hydroxycyclohexyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile (233 g), tert-butyl 2-bromopropanoate (301 g), toluene (1.7 L) and 50% sodium hydroxide (1.7 L) was added tetrabutylammonium hydrogen sulfate (16.3 g), and the mixture was stirred with the internal temperature maintained below 30° C. for 16 hr. Water (1 L) was slowly added under ice-cooling, and phases were separated. The aqueous layer was extracted with tetrahydrofuran (1.0 L). The combined extracts were successively washed with 3M hydrochloric acid (1 L) and brine (1 L), dried over anhydrous magnesium sulfate, and concentrated. The residue was purified by silica gel column chromatography to give the title compound as an amorphous pale-yellow solid (283 g, 96%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09115136B2
Source datasetuspto-grants-2015_08
ORD IDord-55ed8eece9884d5c9ea9523b3bc37420
Source noteuspto-grants-2015_08