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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1810446Generated: November 1, 2026

Hydrochloric Acid → {5-Chloro-2'-[(cyclopropanecarbonyl-ethyl-amino)-methyl]-4'-methylsulfanyl-biphenyl-3-yl}-acetic acid

https://huagongshe.com/reaction/1810446

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantFluoride IonHCID 28179—
ReactantSodium methanethiolateHCID 4378561—
Reactant{5-Chloro-2'-[(cyclopropanecarbonyl-ethyl-amino)-methyl]-4'-fluoro-biphenyl-3-yl}-acetic acid ethyl esterHCID 58149054—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
SolventEthyl AcetateHCID 8857—
Product{5-Chloro-2'-[(cyclopropanecarbonyl-ethyl-amino)-methyl]-4'-methylsulfanyl-biphenyl-3-yl}-acetic acidHCID 58148796—

Reaction Conditions

Temperature100 °C

Reaction Steps

{5-Chloro-2′-[(cyclopropanecarbonyl-ethyl-amino)-methyl]-4′-fluoro-biphenyl-3-yl}-acetic acid ethyl ester (0.118 g, 0.28 mmol) and sodium thiomethoxide (0.043 g, 0.62 mmol) were combined in DMF (2 mL) and stirred at 100° C. overnight. Analytical LCMS indicated that the fluoride hadn't been displaced, but the ethyl ester had hydrolyzed. Additional sodium thiomethoxide (0.040 g, 0.57 mmol) was added, and the reaction was stirred overnight at 100° C. Analytical LCMS indicated that the reaction was complete, so the mixture was acidified with 1N aqueous HCl (4 mL) and worked-up with EtOAc and H2O. The combined organic layers were dried, filtered, and concentrated, and the residue was purified by preparative HPLC to give the title compound. M+H is 418.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08362044B2
Source datasetuspto-grants-2013_01
ORD IDord-3413eb6d546a4a74a97c38b80a855643
Source noteuspto-grants-2013_01