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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2387436Generated: October 31, 2026

Sodium Iodide → tert-butyl (3S)-3-methyl-4-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate

https://huagongshe.com/reaction/2387436

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium IodideHCID 5238—
ReactantTriethylamineHCID 8471—
Reactant(S)-1-Boc-3-methylpiperazineHCID 7023035—
Reactant1-Chloro-6-(trifluoromethyl)indaneHCID 59212653—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
Producttert-butyl (3S)-3-methyl-4-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylateHCID 59212635—

Reaction Steps

A solution of 1-chloro-6-(trifluoromethyl)indane (1.52 g, 6.89 mmol), tert-butyl (3S)-3-methylpiperazine-1-carboxylate (2.1 g, 10 mmol), sodium iodide (3 g, 20 mmol) and triethylamine (3 g, 30 mmol) in DMF (20 mL) was stirred at 60° C. overnight. After cooling to room temperature, water was added. The resulting solution was extracted with EtOAc twice. The combined extracts were washed with water and brine, dried over MgSO4 and concentrated. Column chromatography on silica (10%-30% EtOAc in hexane) afforded two isomers. Isomer 1: 0.52 g (brown oil). MS calculated for C20H27F3N2O2: (M+H)+ 385. found 385.2. Isomer 2: 0.41 g (brown oil). MS: (M+H)+ 385.2

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08268826B2
Source datasetuspto-grants-2012_09
ORD IDord-485f9ce4a3534c8e98f1fd475f95cfe5
Source noteuspto-grants-2012_09