99931-58-5

Basic information

• Product Name: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one hydrochloride (1:1)
• Synonyms: 1-Butanone, 1-(4-fluorophenyl)-4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)-, monohydrochloride
• CAS NO: 99931-58-5
• Molecular Formula: C₁₈H₂₁ClF₂N₄O
• Molecular Weight: 382.8353
• Mol File: 99931-58-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 518.9°C at 760 mmHg
• Flash Point: 267.6°C
• Vapor Pressure: 7.16E-11mmHg at 25°C
• CAS DataBase Reference: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one hydrochloride (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one hydrochloride (1:1)(99931-58-5)
• EPA Substance Registry System: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one hydrochloride (1:1)(99931-58-5)

Safety Data

• Hazardous Substances Data: 99931-58-5(Hazardous Substances Data)

Usage

Salt form

It is a hydrochloride salt.

Receptor specificity

It is a potent and selective antagonist for the serotonin (5-HT) receptor.

Target receptor

It particularly targets the 5-HT2A receptor.

Potential applications

It has the potential to be used in research and drug development for the treatment of various psychiatric and neurological disorders.

Specific disorders

It may be useful in the treatment of depression, anxiety, and schizophrenia.

Research implications

It may also have applications in the study and understanding of the mechanisms of serotonin receptor function and dysfunction in the brain.

Molecular weight

The molecular weight of the compound is approximately 410.85 g/mol.

Solubility

The compound is likely to be soluble in water due to the presence of the hydrochloride salt.

Stability

The stability of the compound may depend on factors such as temperature, light exposure, and humidity.

Safety precautions

As with any chemical compound, appropriate safety precautions should be taken when handling and using this compound, including the use of personal protective equipment (PPE) and following proper disposal procedures.

Upstream product

• 584-08-7 potassium carbonate 
• 87789-49-9 5-fluoro-2-(piperazin-1-yl)-pyrimidine 
• 3308-94-9 4-chloro-1-(4-fluorophenyl)-1,1-(ethylenedioxy)butane 

Relevant articles and documents

Antipsychotic 1-fluorophenylbutyl-4-(2-pyrimidinyl)piperazine derivatives

Disubstituted N,N-piperazinyl derivatives are disclosed wherein one substituent is a pyrimidin-2-yl ring and the other is a 4 carbon chain attached to a p-fluorophenyl ring at the terminal carbon. The terminal carbon of this butylene chain is also bonded to an oxygen atom as part of a carbonyl, carbinol, or ketal functionality. These compounds possess psychotropic properties, particularly atypical antipsychotic activity of good duration. By virtue of pre-clinical pharmacological testing, these compounds appear useful as potential antipsychotic agents which lack the typical movement disorder side-effects of standard antipsychotic agents.