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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1739239Generated: October 30, 2026

Acetonitrile → HCID 19967057, compound

https://huagongshe.com/reaction/1739239

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
ReactantSodium BicarbonateHCID 516892—
Reactant3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 849421—
Reactant4-(3-Chloropropoxy)-3-hydroxy-alpha-methylbenzenemethanolHCID 10398986—
ProductHCID 19967057HCID 19967057—

Reaction Steps

A mixture of 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole (4.3 g, 19.5 mmol), 4-(3-chloropropoxy)-3-hydroxy-α-methylbenzenemethanol (4.5 g, 19.5 mmol), KI (200 mg), NaHCO3 (1.8 g, 21.5 mmol) and CH3CN (125 ml) was stirred at reflux under nitrogen for 24 hours. The cooled reaction was filtered and the filter cake was washed with CH3CN. The filtrate was concentrated to afford an oily residue, which was partitioned between water and ethyl acetate. The ethyl acetate extract was washed with water, dried with MgSO4, and concentrated to yield 8.6 g of a dark oil. The oil was purified by preparative HPLC (Waters Associates prep LC/system 500) to yield 5.0 g. The compound was recrystallized twice from ethanol to provide 3.9 g (49%) of 4-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-propoxy]-3-hydroxy-α-methyl-benzene methanol as a light beige solid, m.p.=142-144° C.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05965546
Source datasetuspto-grants-1999_10
ORD IDord-4c75c51fc6944db3959176dba74e1931
Source noteuspto-grants-1999_10