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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 563266Generated: October 30, 2026

Iodine → 4-((1R,2S)-2-(tert-Butyldimethylsilyloxy)-1-(5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl)propyl-amino)-2-(trifluoromethyl)benzonitrile

https://huagongshe.com/reaction/563266

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIodineHCID 807—
ReactantTriethylamineHCID 8471—
ReactantTriphenylphosphineHCID 11776—
ReactantHCID 67006853HCID 67006853—
SolventDichloromethaneHCID 6344—
Product4-((1R,2S)-2-(tert-Butyldimethylsilyloxy)-1-(5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl)propyl-amino)-2-(trifluoromethyl)benzonitrileHCID 6700614789%

Reaction Steps

A solution of N′-((2R,3S)-3-(tert-butyldimethyl-silyloxy)-2-(4-cyano-3-(trifluoromethyl)phenylamino)butanoyl)-4-cyanobenzohydrazide (1.05 g, 1.92 mmol) in CH2Cl2 (40 mL) was added to a pre-cooled (0° C.) mixture of PPh3 (1.01 g, 3.85 mmol), iodine (980 mg, 3.85 mmol) and Et3N (1.1 mL, 7.70 mmol). The reaction mixture was warmed to room temperature, stirred for 30 min and quenched with sat. aq. sodium thiosulfate (200 mL). The solution was extracted with CH2Cl2 (150 mL). The organic extract was washed with sat. aq. sodium thiosulfate (100 mL), dried (Na2SO4), filtered and concentrated under reduced pressure to provide a light brown solid, which was purified by flash chromatography over silica gel (50% EtOAc in hexanes) to provide the title compound as a light yellow oil (900 mg, 89%): 1H NMR (400 MHz, acetone-d6, δ in ppm) 8.22 (dm, J=8.8 Hz, 2H), 8.02 (dm, J=8.8 Hz, 2H), 7.72 (d, J=8.8 Hz, 1H), 7.41 (d, J=2.5 Hz, 1H), 7.17 (dd, J=2.3, 8.6 Hz, 1H), 6.75 (d, J=9.2 Hz, 1H), 5.36 (dd, J=3.3, 9.4 Hz, 1H), 4.73 (dq, J=3.1, 6.1 Hz, 1H), 1.45 (d, J=6.3 Hz, 3H), 0.78 (s, 9H), 0.07 (s, 3H), −0.13 (s, 3H

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08067448B2
Source datasetuspto-grants-2011_11
ORD IDord-55558449770840d48eb9ae9037ceeadb
Source noteuspto-grants-2011_11