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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1712617Generated: November 3, 2026

Trichloroacetonitrile → HCID 68502400, compound

https://huagongshe.com/reaction/1712617

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrichloroacetonitrileHCID 11011—
ReactantSodium hydrideHCID 24758—
ReactantTrifluoromethanesulfonic acidHCID 62406—
ReactantSodium BicarbonateHCID 516892—
ReactantHCID 68501539HCID 68501539—
SolventIsopropanolHCID 3776—
SolventCarbon TetrachlorideHCID 5943—
SolventDichloromethaneHCID 6344—
ProductHCID 68502400HCID 68502400—

Reaction Conditions

Temperature-30 °C

Reaction Steps

The solution of 0.200 g of benzyl 4-(4-hydroxymethylphenyl)-3-[4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate (Example 270c) in 8 ml of carbon tetrachloride at 0° C. is admixed with 0.019 g of sodium hydride and then stirred for 20 minutes. The reaction mixture is admixed with 0.326 g of trichloroacetonitrile and stirred at 0° C. for 3 hours. Afterwards, a solution of 0.0322 g of 2-propanol in 5 ml of dichloromethane is added and the reaction mixture is cooled to −30° C. and admixed slowly with 0.108 g of trifluoromethanesulphonic acid. The reaction solution is stirred at −20° C. for 19 hours and subsequently poured onto 25 ml of aqueous saturated sodium hydrogencarbonate solution. The mixture is extracted twice with 50 ml of tert-butyl methyl ether. The combined organic phases are washed with 30 ml of brine, dried over sodium sulphate, filtered and concentrated by evaporation. The title compound is obtained as a yellowish oil from the residue by means of flash chromatography (SiO2 60F). Rf=0.15 (1:2 EtOAc-heptane); Rt=5.92.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07790715B2
Source datasetuspto-grants-2010_09
ORD IDord-5f5dc1e415ab465ba5d78e3affb7271f
Source noteuspto-grants-2010_09