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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2408870Generated: October 31, 2026

Toluene → 3(S)-[(3-chloro-4-cyanophenyl)-(3-chloro-4-fluorophenyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester

https://huagongshe.com/reaction/2408870

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
Reactant2-Chloro-4-fluorobenzonitrileHCID 109000—
ReactantSodium bis(trimethylsilyl)amideHCID 2724254—
Reactant3(S)-(3-chloro-4-fluorophenylamino)pyrrolidine-1-carboxylic acid tert-butyl esterHCID 66657071—
SolventWaterHCID 962—
SolventDiethyl EtherHCID 3283—
SolventTetrahydrofuranHCID 8028—
Product3(S)-[(3-chloro-4-cyanophenyl)-(3-chloro-4-fluorophenyl)amino]pyrrolidine-1-carboxylic acid tert-butyl esterHCID 6665722777.7%

Reaction Steps

To an anhydrous toluene solution containing 3(S)-[(3-chloro-4-fluorophenyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester (0.50 g, 1.6 mmol) and 2-chloro-4-fluorobenzonitrile (0.30 g, 1.9 mmol) was added a 1.45 ml tetrahydrofuran solution containing sodium bis(trimethylsilyl)amide (1.1 M) using a syringe. The mixture was heated under reflux under a nitrogen atmosphere for 8 hours and cooled to room temperature. Water was added to the reaction solution, and extraction with diethyl ether was conducted. After drying over sodium sulfate and concentration under reduced pressure, the residue was purified by silica gel column chromatography (n-hexane:ethyl acetate=4:1). The purified product was concentrated to dryness under reduced pressure to thereby obtain 0.56 g of white amorphous solid 3(S)-[(3-chloro-4-cyanophenyl)-(3-chloro-4-fluorophenyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08815871B2
Source datasetuspto-grants-2014_08
ORD IDord-f2b96b6e2aa3495cbbf12a45163a33e4
Source noteuspto-grants-2014_08