2-(4-Fluorophenyl)piperazine

Base Information

• Chemical Name: 2-(4-Fluorophenyl)piperazine
• CAS No.: 65709-33-3
• Molecular Formula: C10H13FN2
• Molecular Weight: 180.225
• Hs Code.: 2933599090
• European Community (EC) Number: 675-649-1
• DSSTox Substance ID: DTXSID20984252
• Nikkaji Number: J3.202.652D
• Mol file: 65709-33-3.mol

Synonyms:2-(4-fluorophenyl)piperazine;65709-33-3;2-(4-fluoro-phenyl)-piperazine;MFCD05864674;2-(4-fluorophenyl)-piperazine;SCHEMBL1638495;DTXSID20984252;NZAKSEMIIIZYEM-UHFFFAOYSA-N;(RS)-2-(4-fluorophenyl)piperazine;2-(4-Fluorophenyl)piperazine diHCl;AKOS005136302;AB22877;AB36235;AB36236;FS-1802;PD077312;PIPERAZINE, 2-(4-FLUOROPHENYL)-;FT-0654762;EN300-342327;A835198;J-505992;Z1198166224

Chemical Property of 2-(4-Fluorophenyl)piperazine

Chemical Property:

• Vapor Pressure: 0.00252mmHg at 25°C
• Melting Point: 111-114 °C
• Boiling Point: 287.2 °C at 760 mmHg
• PKA: 8.76±0.40(Predicted)
• Flash Point: 127.5 °C
• PSA: 24.06000
• Density: 1.079 g/cm³
• LogP: 1.71720
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.10627659
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

99%, ^*data from raw suppliers

2-(4-Fluorophenyl)piperazine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(CN1)C2=CC=C(C=C2)F

Technology Process of 2-(4-Fluorophenyl)piperazine

There total 10 articles about 2-(4-Fluorophenyl)piperazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

C24H25FN2 (1421005-03-9) → (RS)-2-(4-fluorophenyl)piperazine (65709-33-3)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; for 4h;

DOI:10.1016/j.tetlet.2012.11.110

Reference yield: 86.0%

(4-fluorophenyl)glyoxal (403-32-7) + ethylenediamine (107-15-3,85404-18-8) → (RS)-2-(4-fluorophenyl)piperazine (65709-33-3)

Guidance literature:

(4-fluorophenyl)glyoxal; ethylenediamine; In ethanol; for 4h;

With sodium tetrahydroborate; In ethanol; at 20 ℃;

Reference yield: 39.0%

3-(4-fluorophenyl)-5,6-dihydropyrazin-2(1H)-one (712-40-3) → (RS)-2-(4-fluorophenyl)piperazine (65709-33-3)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1016/j.bmcl.2017.06.078

upstream raw materials:

(4-fluorophenyl)glyoxal

ethylenediamine

C₂₄H₂₅FN₂

2-(4-fluorophenyl)pyrazine

Downstream raw materials:

2S-(4-fluorophenyl)-piperazine

(RS)-7-fluoro-8-[3-(4-fluorophenyl)-1-piperazinyl]-1-methyl-4-oxo-1,4-dihydrobenzo[b ][1,8]naphthyridine-3-carboxylic acid

Refernces

• 1、 Hsieh, Sheng-Ying,Bode, Jeffrey W.. "Silicon Amine Reagents for the Photocatalytic Synthesis of Piperazines from Aldehydes and Ketones". supporting information. p. 2098 - 2101. Retrieved 2016/06/01.
• 2、 -. "PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT". Page/Page column 54. . Retrieved 2015/05/05.