1-(4-Fluorophenyl)piperazine Chemical Properties

Melting point:

30-33 °C (lit.)

Boiling point:

118-123 °C/0.1 mmHg (lit.)

Density 

1.0

refractive index 

1.5585-1.5605

Flash point:

>230 °F

storage temp. 

Refrigerator

solubility 

Chloroform (Slightly), Ethyl Acetate (Slightly)

form 

Liquid After Melting

pka

8.93±0.10(Predicted)

color 

Clear yellow

Water Solubility 

Insoluble in water.

Sensitive 

Air Sensitive

BRN 

610723

InChI

1S/C10H13FN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2

InChIKey

AVJKDKWRVSSJPK-UHFFFAOYSA-N

SMILES

Fc1ccc(cc1)N2CCNCC2

CAS DataBase Reference

2252-63-3(CAS DataBase Reference)

NIST Chemistry Reference

1-(P-fluorophenyl)piperazine(2252-63-3)

Safety Information

Hazard Codes 

Xn,T,C

Risk Statements 

22-36/37/38-20/21/22

Safety Statements 

26-36

RIDADR 

2811

WGK Germany 

2

Hazard Note 

Toxic/Corrosive

HazardClass 

8

PackingGroup 

III

HS Code 

29339900

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

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1-(4-Fluorophenyl)piperazine Usage And Synthesis

Chemical Properties

clear yellowish liquid after melting

Uses

1-(4-Fluorophenyl)piperazine was used in the synthesis of N,N-disubstituted piperazine. It is a major metabolite of niaparazine, a sedative, a hypnotic drug.

Uses

1-(4-Fluorophenyl)piperazine is a major metabolite of Niaparazine, a sedative, hypnotic drug. Metabolites of Niaprazine occurred by N-dealkylation, N-dearylation, aromatic hydroxylation and N-oxidatio n.

Synthesis

Weighing 4-fluoroaniline 9.2mL (0.10mol), bis(2-chloroethyl)amine hydrochloride 17.85g (0.10mol) and diethylene glycol monomethyl ether 25mL in a 100mL three-necked flask, and placed in the reflux device equipped with a reflux device WBFY-201-type microcomputer microwave chemical reactor, reflux, the microwave radiation power of 800W, the reaction time is 3min. At the end of the reaction, the reaction solution was cooled and then distilled under reduced pressure to remove diethylene glycol monomethyl ether, and the solvent was recovered for use. The residue was added to a small amount of ethanol, add a certain amount of ether solution, to be clarified by the mixture, at this time, a large number of solids precipitated, the hydrochloride was dissolved in 30mL of water, the PH value was adjusted to 12 with 40% sodium hydroxide, ethyl acetate extraction for 2 times (2 ?? 40mL), and then washed with water and saturated saline respectively for 1 time, the organic layer was dried with anhydrous sodium sulfate, filtered, concentrated, and then obtained by distillation under reduced pressure 1- (4-fluorophenyl)piperazine light yellow liquid 13.97g, yield 77.6%.

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