1-(2-Fluorobenzyl)piperazine

Base Information

• Chemical Name: 1-(2-Fluorobenzyl)piperazine
• CAS No.: 89292-78-4
• Molecular Formula: C11H15FN2
• Molecular Weight: 194.252
• Hs Code.: 29335990
• European Community (EC) Number: 624-659-4
• DSSTox Substance ID: DTXSID00963040
• Nikkaji Number: J2.315.338F
• Wikidata: Q82944845
• Mol file: 89292-78-4.mol

Synonyms:1-(2-Fluorobenzyl)piperazine;89292-78-4;1-[(2-fluorophenyl)methyl]piperazine;1-(2-Fluoro-benzyl)-piperazine;1-(2-Fluorobenzyl)-piperazine;MFCD02256027;1-(2-fluorobenyl)-piperazine;2-fluorobenzylpiperazine;2-fluorobenzyl piperazine;SCHEMBL593144;DTXSID00963040;IGVNZJBYRPULAI-UHFFFAOYSA-N;STK397844;1-(2-Fluorobenzyl)piperazine, 96%;AKOS000198929;1-[(2-fluorophenyl)methyl]-piperazine;FS-1476;AS-11220;SY040438;BB 0249421;FT-0642118;FT-0678379;EN300-11007;F30639;A826329;A843124;A861245;Piperazine,1-[(2-fluorophenyl)methyl]-,hydrochloride(1:1)

Chemical Property of 1-(2-Fluorobenzyl)piperazine

Chemical Property:

• Vapor Pressure: 0.00571mmHg at 25°C
• Refractive Index: n20/D 1.5330(lit.)
• Boiling Point: 273.5 °C at 760 mmHg
• PKA: 9.07±0.10(Predicted)
• Flash Point: 119.2 °C
• PSA: 15.27000
• Density: 1.103g/cm³
• LogP: 1.49760
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.12192665
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(2-Fluorobenzyl)piperazine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CC2=CC=CC=C2F

Technology Process of 1-(2-Fluorobenzyl)piperazine

There total 4 articles about 1-(2-Fluorobenzyl)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%

piperazine (110-85-0) + 2-fluorobenzyl chloride (345-35-7) → 1-(o-fluorobenzyl)piperazine (89292-78-4)

Guidance literature:

In acetonitrile; at 0 - 20 ℃; for 24h;

DOI:10.1016/j.ejmech.2016.09.078

Reference yield: 41.0%

B2 H6 THF + dichloromethane (75-09-2) + 1-(2-fluorobenzoyl)-piperazine (139516-64-6) → 1-(o-fluorobenzyl)piperazine (89292-78-4)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; hydrogenchloride;

Reference yield: 41.0%

B2H6THF + 1-(2-fluorobenzoyl)-piperazine (139516-64-6) → 1-(o-fluorobenzyl)piperazine (89292-78-4)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; hydrogenchloride; dichloromethane;

upstream raw materials:

piperazine

2-fluorobenzyl chloride

dichloromethane

1-(2-fluorobenzoyl)-piperazine

Downstream raw materials:

2-(4-(2-fluorobenzyl)piperazin-1-yl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-7-yl)acetamide

C₂₅H₂₆FN₇O₂

C₂₃H₃₀FN₃O₃S

C₂₃H₃₀FN₃O₃S

Refernces

• 1、 Zhang, Tian-Yi,Li, Chao,Li, Ya-Ru,Li, Xiao-Zhen,Sun, Liang-Peng,Zheng, Chang-Ji,Piao, Hu-Ri. "Synthesis and antimicrobial evaluation of aminoguanidine and 3-amino-1,2,4-triazole derivatives as potential antibacterial agents". . p. 1063 - 1075. Retrieved 2016/11/25.
• 2、 Zhang, Cunlong,Tan, Chunyan,Zu, Xuyu,Zhai, Xin,Liu, Feng,Chu, Bizhu,Ma, Xiaohua,Chen, Yuzong,Gong, Ping,Jiang, Yuyang. "Exploration of (S)-3-aminopyrrolidine as a potentially interesting scaffold for discovery of novel Abl and PI3K dual inhibitors". experimental part. p. 1404 - 1414. Retrieved 2011/04/22.