Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 379102Generated: October 30, 2026

1,3-Dichloroacetone → 3-Chloro-2-oxopropyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylthio]butanoate

https://huagongshe.com/reaction/379102

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,3-DichloroacetoneHCID 10793—
ReactantSodium BicarbonateHCID 516892—
Reactant3-Methyl-3(2,4,6-trimethoxyphenylmethylthio)butyric acidHCID 15458139—
SolventDimethylformamideHCID 6228—
Product3-Chloro-2-oxopropyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylthio]butanoateHCID 8799103057%

Reaction Steps

To a mixture of 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylthio]butanoic acid (3 g, 9.54 mmol) and sodium bicarbonate (975 mg, 11.6 mmol) in DMF (30 mL) was added a solution of 1,3-dichloroacetone (4.23 g, 33.4 mmol) in DMF (15 mL) at 0° C. under nitrogen. The reaction mixture was allowed to warm to room temperature, and stirred for 48 hours. The residue after evaporation of the solvent was partitioned between EtOAc and H2O. The organic phase was washed with water and brine, dried over MgSO4, filtered, and concentrated. The residue was chromatographed on silica gel eluting with EtOAc:Hex (20-30%) to give the title compound as a yellow oil (2.19 g, 57%). 1H NMR (300 MHz, CDCl3) δ 6.12 (s, 2H), 4.87 (s, 2H), 4.21 (s, 2H), 3.86-3.80 (mult, 11H), 2.83 (s, 2H), 1.52 (s, 6H); 13C NMR (75 MHz, CDCl3) δ 196.5, 170.1, 160.4, 158.6, 107.3, 90.7, 66.4, 55.8, 55.3, 46.3, 45.9, 43.8, 28.2, 20.9; mass spectrum (API-TIS) m/z 422 (M+NH4).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06297260B1
Source datasetuspto-grants-2001_10
ORD IDord-63271b43cccd4a30ad7985a9a4148eed
Source noteuspto-grants-2001_10