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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 730366Generated: October 28, 2026

Chloroiodomethane → Methyl 3-cyano-4-isopropoxybenzoate

https://huagongshe.com/reaction/730366

Reaction equation

Participants

RoleNameHCIDCharge
ReactantChloroiodomethaneHCID 11644—
ReactantAmmonium HydroxideHCID 14923—
ReactantAmmonium ChlorideHCID 25517—
ReactantMethyl 3-cyano-4-hydroxybenzoateHCID 11769089—
ReactantHCID 178418750HCID 178418750—
Solvent1,2-DichloroethaneHCID 11—
SolventEthyl AcetateHCID 8857—
ProductMethyl 3-cyano-4-isopropoxybenzoateHCID 2195680530%

Reaction Conditions

Temperature0 °C

Reaction Steps

Compound 3 (5.56 g, 24.0 mmol) was added to a solution of chloroiodomethane (5.59 mL, 76.8 mmol) in 1,2-dichloroethane (35 mL) under an atmosphere of nitrogen. The solution was cooled to 0° C. with an ice bath and diethyl zinc (38.4 mL, 1.0 M in hexanes, 38.4 mmol) was added over 10 minutes. The resulting mixture was stirred for 30 minutes and allowed to warm to room temperature. It was again cooled to 0° C. with an ice bath, and saturated aqueous NH4Cl (150 mL) was added, followed by concentrated aqueous NH4OH (25 mL) and EtOAc (200 mL). The layers were separated and the aqueous phase was extracted with additional EtOAc (2×100 mL). The organic phases were combined, dried (Na2SO4) and concentrated to a crude oil which was purified over silica gel (100% hexanes) to yield compound 4 (1.76 g, 7.2 mmol, 30% yield) as a colorless oil which was characterized using 1H NMR.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07582668B2
Source datasetuspto-grants-2009_09
ORD IDord-85f417d2c89d4a6993f3785b9fc81b59
Source noteuspto-grants-2009_09