Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 409805Generated: October 29, 2026

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

https://huagongshe.com/reaction/409805

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 numberUS08759374B2
Source datasetuspto-grants-2014_06
ORD IDord-008e6913c482474295a69ad7f08459ce
Source noteuspto-grants-2014_06