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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 340943Generated: October 31, 2026

Toluene → 4-[3-(2-Chloro-3-fluoro-benzyl)-1-methyl-ureido]-5-(isoquinolin-3-ylcarbamoyloxy)-pentanoic acid methyl ester

https://huagongshe.com/reaction/340943

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
ReactantTetrabutylammonium FluorideHCID 2724141—
Reactant3-Isoquinolinecarbonyl azideHCID 57947356—
Reactant5-(Tert-butyl-dimethyl-silanyloxy)-4-[3-(2-chloro-3-fluoro-benzyl)-1-methyl-ureido]-pentanoic acid methyl esterHCID 66622056—
SolventTetrahydrofuranHCID 8028—
Product4-[3-(2-Chloro-3-fluoro-benzyl)-1-methyl-ureido]-5-(isoquinolin-3-ylcarbamoyloxy)-pentanoic acid methyl esterHCID 6662230371%

Reaction Conditions

Temperature24 °C

Reaction Steps

To a solution of 5-(tert-Butyl-dimethyl-silanyloxy)-4-[3-(2-chloro-3-fluoro-benzyl)-1-methyl-ureido]-pentanoic acid methyl ester (21.0 g, 45.6 mmol) in THF (450 mL) was slowly added TBAF (1 M in THF, 68.4 mL, 68.4 mmol). The reaction was stirred at 24° C. for 1 h. THF was removed. The residue was diluted with EtOAc (600 mL) and washed with saturated aq. NH4Cl and brine. The organic layers were dried over Na2SO4 and concentrated. The resulting residue was dissolved in toluene and added into a toluene solution of isoquinoline-3-carbonyl azide (9.07 g, 45.6 mmol) at 100° C. The reaction mixture was heated to 100° C. for 1 h and then concentrated. Resulting residue was purified on silica gel column using hexanes and EtOAc to give 4-[3-(2-chloro-3-fluoro-benzyl)-1-methyl-ureido]-5-(isoquinolin-3-ylcarbamoyloxy)-pentanoic acid methyl ester (16.8 g, 71%) as a colorless oil. LRMS (M+H+) m/z 517.1.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08895582B2
Source datasetuspto-grants-2014_11
ORD IDord-5cac422c04f84986ab40481f5f4f1b0a
Source noteuspto-grants-2014_11