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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 547974Generated: October 31, 2026

Phosphorus oxychloride → HCID 23124897, compound

https://huagongshe.com/reaction/547974

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPhosphorus oxychlorideHCID 24813—
ReactantSodium BicarbonateHCID 516892—
Reactant3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indoleHCID 736229—
Reactant60838-50-8HCID 5324713—
ReactantHCID 67196878HCID 67196878—
SolventDichloromethaneHCID 6344—
ProductHCID 23124897HCID 2312489745%

Reaction Steps

Into a solution prepared by dissolving 0.63 g of 3-(4-fluorophenyl)-1-isopropyl-1H-indole in 3 mL of dichloromethane was added dropwise 0.77 g of phosphorus oxychloride at an inner temperature of 0 to 10° C., then, 0.92 g of trans-3-methoxyacrylonitrile was added dropwise. Then, the mixture was stirred overnight at room temperature to cause a reaction, further, the mixture was reacted for 6 hours at the reflux temperature. After completion of the reaction, the reaction liquid was added into 100 mL of 5 wt % aqueous sodium hydrogen carbonate, and extracted with ethyl acetate three times. The resulting organic layers were combined and washed with water, then, dried with anhydrous magnesium sulfate. The magnesium sulfate was filtrated off, and the resulting filtrate was concentrated to obtain a concentrated residue containing 3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]acrylonitrile (trans-cis isomer mixture containing mainly trans isomer). The resulting concentrated residue was purified by silica gel column chromatography (developing liquid: n-heptane/ethyl acetate: 10/1 to 5/1) to obtain 0.34 g of trans-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]acrylonitrile (yellow solid). Yield: 45%

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07939674B2
Source datasetuspto-grants-2011_05
ORD IDord-ca7c8a9825c94531adc834798246583a
Source noteuspto-grants-2011_05