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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1362756Generated: October 30, 2026

Water → HCID 66961044, compound

https://huagongshe.com/reaction/1362756

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantSodium hydrideHCID 24758—
Reactant2-fluoro-5-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehydeHCID 73014035—
ReactantTert-butyl 5-chloro-2-(diethoxyphosphoryl)valerateHCID 86602480—
SolventTetrahydrofuranHCID 8028—
SolventEthyl AcetateHCID 8857—
ProductHCID 66961044HCID 66961044106.5%

Reaction Steps

Sodium hydride (containing mineral oil at 40%, 0.68 g) was added to a solution of tert-butyl 5-chloro-2-(diethoxyphosphoryl)valerate (5.59 g) in THF (50 mL) in a nitrogen atmosphere at room temperature, and the reaction solution was stirred at room temperature for 30 minutes. A solution of 2-fluoro-5-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde (3.19 g) in THF (10 mL) was added to the reaction mixture, and the reaction solution was stirred at room temperature for 4 hours. Water and ethyl acetate were added to the reaction mixture and the organic layer was partitioned. The organic layer was washed with brine, and then dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The resulting residue was purified by silica gel chromatography (elution solvent: heptane-ethyl acetate system) to obtain tert-butyl (E)-5-chloro-2-(2-fluoro-5-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)valerate (5.93 g). A solution of tert-butyl (E)-5-chloro-2-(2-fluoro-5-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)valerate in trifluoroacetic acid (30 mL) was stirred while cooling with ice. After 2 hours, the reaction solution was concentrated under reduced pressure. Tert-butyl methyl ether was added to the resulting residue, and the resulting deposited solid was filtered to obtain 3 g of the title compound. Properties data of the compound are as follows.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07880009B2
Source datasetuspto-grants-2011_02
ORD IDord-d063bae2c48940789e04f2a8ad9c10cb
Source noteuspto-grants-2011_02