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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1869385Generated: October 26, 2026

Bicarbonate Ion → 4-(4-Iodo-2-methoxyphenyl)-4-methyl-2-oxovaleric acid methyl ester

https://huagongshe.com/reaction/1869385

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBicarbonate IonHCID 769—
ReactantThionyl ChlorideHCID 24386—
Reactant4-(4-Iodo-2-methoxyphenyl)-4-methyl-2-oxovaleric acidHCID 18551190—
SolventMethanolHCID 887—
Product4-(4-Iodo-2-methoxyphenyl)-4-methyl-2-oxovaleric acid methyl esterHCID 68678925—

Reaction Steps

3 g of 4-(4-iodo-2-methoxyphenyl)-4-methyl-2-oxovaleric acid (WO 98/54159) is added in a solution of 1.3 ml of thionyl chloride in 12 ml of methanol at 0° C. and stirred for 10 hours at room temperature. It is added to saturated bicarbonate solution and extracted with ethyl acetate. The organic phase is washed with bicarbonate solution and brine, dried (Na2SO4) and concentrated by evaporation. 3.2 g of 4-(4-iodo-2-methoxyphenyl)-4-methyl-2-oxovaleric acid methyl ester is obtained as a crude product. This ester is mixed with 4.5 ml of trifluoromethyltrimethylsilane in 70 ml of DMF and 1.63 g of cesium carbonate at 0° C. and stirred for 10 hours at room temperature. 20 mg of tetrabutylammonium fluoride is added, and it is stirred for another 30 minutes at room temperature. The batch is added to water and extracted with ethyl acetate. The organic phase is washed with water and brine, dried (Na2SO4) and concentrated by evaporation. After chromatography on silica gel (hexane/ethyl acetate 0->15%), 1.47 g of the title compound is obtained as a yellow oil.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07638515B2
Source datasetuspto-grants-2009_12
ORD IDord-4a7efef0b4224387aeb608b19c5e16dd
Source noteuspto-grants-2009_12