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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 553101Generated: October 30, 2026

3,5-Difluorophenylacetic acid → 3-(4-[2-[2-(3,5-Difluoro-Phenyl)-acetylamino]-pentanoylamino]-imidazol-1-yl)-butyric acid methyl ester

https://huagongshe.com/reaction/553101

Reaction equation

Participants

RoleNameHCIDCharge
Reactant3,5-Difluorophenylacetic acidHCID 145424—
Reactant3-[4-(2-Amino-pentanoylamino)-imidazol-1-yl]-butyric acid methyl esterHCID 67165548—
Product3-(4-[2-[2-(3,5-Difluoro-Phenyl)-acetylamino]-pentanoylamino]-imidazol-1-yl)-butyric acid methyl esterHCID 11690657—

Reaction Steps

3-[4-(2-Amino-pentanoylamino)-imidazol-1-yl]-butyric acid methyl ester was coupled with (3,5-Difluoro-phenyl)-acetic acid to provide the title compound: Mixture of Diastereomers, MS m/z 437.2 (M+1). The diastereomers were separated using ChiralOD column, elute 85:15 heptane:ethanol; Flow Rate 85 mL/min. Diastereomer #1 (RT=9.39 min.) C13 NMR (100 MHz, CDCl3) 13.9, 18.9, 19.2, 21.5, 21.6, 28.3, 30.5, 35.9, 41.9, 42.2, 43.0, 50.6, 50.7, 52.1, 53.1, 102.7, 104.9, 112.3, 112.5, 132.2, 138.0, 169.2, 169.6, 170.7; MS m/z 437.2 (M+1) Diastereomer #2 (RT=13.6 min.) C13 NMR (100 MHz, CDCl3) 13.9, 18.9, 21.6, 35.8, 42.0, 43.1, 50.8, 52.1, 53.1, 102.9, 104.8, 112.3, 112.6, 132.4, 137.9, 169.3, 170.6; MS m/z 437.2 (M+1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07951958B2
Source datasetuspto-grants-2011_05
ORD IDord-89bb515ed5704266a115482395e61340
Source noteuspto-grants-2011_05