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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1246683Generated: October 30, 2026

2-Cyclohexen-1-one → 3-Hexadecylthiocyclohexanone

https://huagongshe.com/reaction/1246683

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-Cyclohexen-1-oneHCID 13594—
ReactantHexadecanethiolHCID 18015—
SolventTetrahydrofuranHCID 8028—
SolventSodium HydroxideHCID 14798—
Product3-HexadecylthiocyclohexanoneHCID 2187319170%

Reaction Steps

2-Cyclohexenone (0.14 mol, 13.4 mL) was dissolved in 10 mL of 10 percent sodium hydroxide and 50 mL of THF. An equimolar amount of hexadecyl mercaptan (0.14 mol, 42.9 mL) was added to the unsaturated ketone and the mixture refluxed to produce 3-hexadecylthiocyclohexanone (70 percent yield). This product (5.23 mmol, 1.851 g) was dissolved in methanol and reduced with sodium borohydride (5.23 mmol, 0.199 g) to give a racemic mixture of 3-hexadecylthiocyclohexanol (yield 62 percent; cis:trans ratio 4:1). The phosphorylating agent was prepared by refluxing phosphorus oxychloride (0.65 mol, 60.8 mL) and 2-bromoethanol (0.38 mol, 27.0 mL) in 25 mL of trichloroethylene to produce 2-bromoethyl dichlorophosphate (yield 53 percent). The 3-hexadecylthiocyclohexanol (0.56 mmol, 0.200 g) was dissolved in diethyl ether:THF (2:1) and refluxed with the 2-bromoethyl dichlorophosphate (222 mmol, 0.3 mL) to produce 3-hexadecylthiocyclohexyl phosphoethyl bromide (yield 54 percent). The latter (0.276 mmol, 0.150 g) was dissolved in isopropyl alcohol chloroform:DMF (5:3:5) and heated at 65° C. with trimethylamine (0.042 mol, 2 mL) to produce the desired product, 3-hexadecylthiocyclohexyl-phosphocholine (yield 38 percent).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07129227B1
Source datasetuspto-grants-2006_10
ORD IDord-e35408154c9a4ffbb2eb276248adf5b5
Source noteuspto-grants-2006_10