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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 84933Generated: October 25, 2026

Sodium Hydroxide → (E)-Methyl 3-chloro-2-(2-cyanovinyl)benzoate

https://huagongshe.com/reaction/84933

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium HydroxideHCID 14798—
Reactant3-Chlorophthalic anhydrideHCID 67014—
Reactant(Triphenylphosphoranylidene)acetonitrileHCID 85524—
ReactantTrimethylsilyldiazomethaneHCID 167693—
ReactantLithium tri-tert-butoxyaluminohydrideHCID 16710494—
SolventMethanolHCID 887—
SolventTetrahydrofuranHCID 8028—
Product(E)-Methyl 3-chloro-2-(2-cyanovinyl)benzoateHCID 66818998—

Reaction Steps

To 4-chloroisobenzofuran-1,3-dione (1.82 g, 10 mmol) in tetrahydrofuran (20 mL) was added lithium tri-tert-butoxyaluminum hydride (0.5 M, 20 mL, 10 mmol, diglyme) at −20° C. The mixture was stirred at room temperature overnight. (Triphenylphosphoranylidene)acetonitrile (3.0 g, 10 mmol) was added, and the resultant mixture was heated at 120° C. for 16 hours. 2 N Sodium hydroxide(aq) was added and the mixture was extracted with ethyl acetate (2×). HCl(aq) (1 M) was added to the aqueous layer to pH3, and the mixture was extracted with ethyl acetate. The organic extracts was dried and concentrated. The residue was dissolved in 20 mL of 1:1 CH2Cl2:methanol followed by the addition of (trimethylsilyl)diazomethane (4 mL, 2 N in diethyl ether, 8 mmol). The mixture was stirred for 1 hour and quenched with acetic acid. The mixture was concentrated and purified by silica gel column chromatography eluting with 2:1 hexanes:ethyl acetate to afford the title compound. 1H NMR (500 MHz, DMSO-d6) δ ppm 7.85 (dd, J=1.0, 7.5 Hz, 1H), 7.81 (dd, J=1.0, 8.0 Hz, 1H), 6.04 (d, J=17 Hz, 1H), and 3.84 (s, 3H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08846951B2
Source datasetuspto-grants-2014_09
ORD IDord-33e43648740e404e89c6ce21cec9b64f
Source noteuspto-grants-2014_09