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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 561694Generated: October 31, 2026

Trifluoroacetic acid → 2-[(2-Fluoro-4-methylphenyl){5-fluoro-7-[(methylsulfonyl)methyl]-1H-indol-3-yl}methyl]cyclopropanecarbonitrile

https://huagongshe.com/reaction/561694

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
Reactantindium(III)chlorideHCID 159675—
Reactant5-Fluoro-7-[(methylsulfonyl)methyl]-1H-indoleHCID 58392318—
Reactant2-[(2-Fluoro-4-methylphenyl)(hydroxy)methyl]cyclopropanecarbonitrileHCID 58392346—
Solvent1,2-DichloroethaneHCID 11—
Product2-[(2-Fluoro-4-methylphenyl){5-fluoro-7-[(methylsulfonyl)methyl]-1H-indol-3-yl}methyl]cyclopropanecarbonitrileHCID 58392464—

Reaction Steps

347 mg (1.57 mmol) of indium(III) chloride and 0.18 ml (2.35 mmol) of trifluoroacetic acid were added to 268 mg (1.31 mmol) of the compound from Example 166A and 405 mg (1.57 mmol) of the compound from Example 87A with a purity of 88% under argon in 10 ml of 1,2-dichloroethane, and the mixture was heated under reflux overnight. It was concentrated and the residue was taken up in ethyl acetate, washed with saturated aqueous sodium bicarbonate solution and saturated aqueous sodium chloride solution, dried over sodium sulfate, filtered and concentrated. The residue was purified by preparative HPLC (RP18 column; mobile phase: acetonitrile/water gradient with addition of 0.1% formic acid) to result in 358 mg (66% of theory) of the title compound as mixture of diastereomers.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08063234B2
Source datasetuspto-grants-2011_11
ORD IDord-1f1638211ab442369665d02962b9d0c7
Source noteuspto-grants-2011_11