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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1410142Generated: October 28, 2026

2,5-Hexanedione → 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(2-fluoro-4-hydroxyphenyl)-3-methyl-1H-pyrazole-4-carbonitrile

https://huagongshe.com/reaction/1410142

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2,5-HexanedioneHCID 8035—
ReactantEthyl AcetateHCID 8857—
Reactant5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methyl-1H-pyrazole-4-carbonitrileHCID 67120043—
SolventAcetic acid 10-acetoxymethyl-anthracen-9-ylmethyl esterHCID 613145—
Product5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(2-fluoro-4-hydroxyphenyl)-3-methyl-1H-pyrazole-4-carbonitrileHCID 6712005699%

Reaction Steps

A solution of 5-amino-1-(2-fluoro-4-hydroxyphenyl)-3-methyl-1H-pyrazole-4-carbonitrile (100 mg, 0.43 mmol) and acetonylacetone (507 μL, 4.31 mmol) in glacial acetic (3 mL) acid was heated at 140° C. in the micro for 30 min. The mixture was transferred to a round bottom flask using EtOAc and evaporated, toluene was added and again evaporated, CH2Cl2 and silica was finally added and the mixture was evaporated to dryness. Purification using silica chromatography (short plug) gave 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(2-fluoro-4-hydroxyphenyl)-3-methyl-1H-pyrazole-4-carbonitrile (132 mg, 99%) as a 1:1 mixture with the starting material acetonylacetone. The product was used as such in the next step.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08921402B2
Source datasetuspto-grants-2014_12
ORD IDord-71d2716fbff548d7bd3f2d3d136539f8
Source noteuspto-grants-2014_12