1-(3-Chlorobenzyl)piperazine

Base Information

• Chemical Name: 1-(3-Chlorobenzyl)piperazine
• CAS No.: 23145-91-7
• Molecular Formula: C11H15ClN2
• Molecular Weight: 210.706
• Hs Code.: 29335990
• European Community (EC) Number: 626-065-0
• DSSTox Substance ID: DTXSID00354151
• Nikkaji Number: J1.349.274C
• Wikidata: Q72517450
• ChEMBL ID: CHEMBL4470374
• Mol file: 23145-91-7.mol

Synonyms:1-(3-Chlorobenzyl)piperazine;23145-91-7;1-[(3-chlorophenyl)methyl]piperazine;Piperazine,1-[(3-chlorophenyl)methyl]-;1-(3-Chloro-benzyl)-piperazine;1-(3-Chlorobenzyl)piperazine, 98%;Piperazine, 1-[(3-chlorophenyl)methyl]-;Oprea1_122570;Oprea1_586299;1-(3-Chlorobenzyl)-piperazine;SCHEMBL1888148;CHEMBL4470374;DTXSID00354151;JTEQMTYOCBFLNH-UHFFFAOYSA-N;4-(3-chlorophenyl)methylpiperazine;MFCD02048053;STK299977;AKOS000118621;TS-03002;BB 0249417;FT-0638301;EN300-11545;A816592;J-015007;Z57051058;GNW

Chemical Property of 1-(3-Chlorobenzyl)piperazine

Chemical Property:

• Appearance/Colour: Corrosive liqui
• Vapor Pressure: 0.000915mmHg at 25°C
• Refractive Index: n20/D 1.5582
• Boiling Point: 303.7 °C at 760 mmHg
• PKA: 9.10±0.10(Predicted)
• Flash Point: 137.5 °C
• PSA: 15.27000
• Density: 1.146 g/cm³
• LogP: 2.01190
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 210.0923762
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Chlorobenzyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCN1)CC2=CC(=CC=C2)Cl

Technology Process of 1-(3-Chlorobenzyl)piperazine

There total 8 articles about 1-(3-Chlorobenzyl)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: 74.0%

piperazine (110-85-0) + 1-Chloro-3-chloromethyl-benzene (620-20-2,130468-19-8) → 1-(3-chlorobenzyl)piperazine (23145-91-7)

Guidance literature:

In tetrahydrofuran; for 4h; Reflux;

DOI:10.1016/j.ejmech.2011.01.020

Reference yield: 65.0%

→ 1-(3-chlorobenzyl)piperazine (23145-91-7)

Guidance literature:

In tetrahydrofuran; for 2.5h; Reflux;

Reference yield:

4-(3-chlorobenzyl)-piperazine-1-carboxylic acid tert-butyl ester (305860-09-7) → 1-(3-chlorobenzyl)piperazine (23145-91-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; Ambient temperature;

DOI:10.1016/S0968-0896(98)00134-5

upstream raw materials:

4-(3-chlorobenzyl)-piperazine-1-carboxylic acid tert-butyl ester

piperazine

1-Chloro-3-chloromethyl-benzene

1-bromomethyl-3-chlorobenzene

Downstream raw materials:

3-[4-(3-Chloro-benzyl)-piperazin-1-yl]-propan-1-ol

1-[4-(3-Chloro-benzyl)-piperazin-1-yl]-3-phenyl-propan-2-one