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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 76865Generated: October 25, 2026

Benzonitrile, m-chloro- → Methyl 2-(2-chloro-4-cyanophenyl)acetate

https://huagongshe.com/reaction/76865

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzonitrile, m-chloro-HCID 13015—
ReactantCarbonocyanidic acid, methyl esterHCID 28660—
ReactantLithium HexamethyldisilazideHCID 2733832—
SolventTetrahydrofuranHCID 8028—
ProductMethyl 2-(2-chloro-4-cyanophenyl)acetateHCID 86611068—

Reaction Steps

4-{5-[2-tert-Butyldimethylsilanyloxy)ethyl]imidazol-1-ylmethyl}-3-chlorobenzonitrile (1.7 g, 4.52 mmol) is dissolved in anhydrous THF (30 mL) and stirred at −78° C. before a THF solution of LHMDS (8.1 mL, 1.0 M) is added. After 15 min, methyl cyanoformate (0.38 mL, 4.74 mmol) is added and the solution is left at −78° C. for 2 h. The excess LHMDS is quenched with aqueous saturated NH4Cl and the mixture is allowed to warm to room temperature. The mixture is then diluted with EtOAc and washed with aqueous saturated NH4Cl (2×). Organic is dried (Na2SO4) and evaporated. The crude residue is purified via flash column chromatography (EtOAc/hexanes 1:1→EtOAc) to give {5-[2-tert-butyldimethylsilanyloxy)ethyl]-imidazol-1-yl}-(2-chloro-4-cyanophenyl)acetic acid methyl ester as an oil. MS (ESI) m/z 434.3, 436.3 (M+H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08835646B2
Source datasetuspto-grants-2014_09
ORD IDord-dfb441574fa942208fb18e6416ac21d7
Source noteuspto-grants-2014_09