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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1180795Generated: October 31, 2026

Acetic Acid → Way-196025

https://huagongshe.com/reaction/1180795

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantTrifluoroacetic acidHCID 6422—
ReactantBoron trifluoride etherateHCID 8000—
ReactantTriethylsilaneHCID 12052—
ReactantSodium HydroxideHCID 14798—
ReactantEthyl 4-(3-oxopropyl)benzoateHCID 2757377—
ReactantN-[2-(1-benzhydryl-5-chloro-1H-indol-2-yl)-ethyl]-C-(2,6-dimethylphenyl)-methanesulfonamideHCID 11455537—
SolventWaterHCID 962—
SolventTolueneHCID 1140—
SolventDichloromethaneHCID 6344—
SolventTetrahydrofuranHCID 8028—
ProductWay-196025HCID 1029030281.4%

Reaction Conditions

Temperature-20 °C

Reaction Steps

N-[2-(1-Benzhydryl-5-chloro-1H-indol-2-yl)-ethyl]-C-(2,6-dimethyl-phenyl)-methanesulfonamide (300 g, 552 mmol), 4-(3-Oxo-propyl)-benzoic acid ethyl ester (250 g, 1.21 mol), triethylsilane (192 g, 1.66 mol), and dichloromethane (2.9 L) were combined, stirred, and cooled to −20° C. A solution of boron trifluoride etherate (55.0 g, 322 mmol) in dichloromethane (10 mL) was added to the reaction mixture over 9 min. After 35 min, trifluoroacetic acid (63 g, 553 mmol) was added to the reaction mixture. After 40 min, the reaction mixture was filtered cold through a celite pad into aqueous sodium bicarbonate (138 g/1.5 L). The organic layer was concentrated to 1.2 L g, then ethanol (1.5 L) was added. The solution was concentrated to 1.2 L. THF (450 mL) and a solution of aqueous sodium hydroxide (221 g, 2.76 mol) were added. The reaction mixture was then warmed to reflux for 30 min. The mixture was cooled to 50° C. Toluene (1.5 L), water (300 mL) and acetic acid (166 g, 2.76 mol) were added. The organic and aqueous phases were separated and the organic phase was concentrated to 1.2 L. Toluene (600 mL) was added and the mixture was concentrated to 1.2 L. The mixture was cooled to room temperature and stirred for 16 h. The solid was collected by filtration, washed with cold toluene (3×300 mL), and dried to give 317 g (81%) of the title compound.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07282594B2
Source datasetuspto-grants-2007_10
ORD IDord-51521ba1ae764485850764bcdae1e4e6
Source noteuspto-grants-2007_10