1-(3-Cyanobenzyl)piperazine

Base Information

• Chemical Name: 1-(3-Cyanobenzyl)piperazine
• CAS No.: 203047-38-5
• Molecular Formula: C12H15N3
• Molecular Weight: 201.271
• Hs Code.: 2933599090
• European Community (EC) Number: 674-804-0
• DSSTox Substance ID: DTXSID50374086
• Wikidata: Q82162572
• Mol file: 203047-38-5.mol

Synonyms:1-(3-Cyanobenzyl)piperazine;203047-38-5;3-(piperazin-1-ylmethyl)benzonitrile;3-[(piperazin-1-yl)methyl]benzonitrile;1-(3-cyano-benzyl)-piperazine;SCHEMBL639856;1-(3-cyanobenzyl)-piperazine;1-(3-Cyano-benzyl)piperazine;DTXSID50374086;XDYXEYUQBGLAOZ-UHFFFAOYSA-N;MFCD04972583;AKOS000125969;FS-1662;FT-0729814;EN300-1196804;A814421

Chemical Property of 1-(3-Cyanobenzyl)piperazine

Chemical Property:

• Vapor Pressure: 9.05E-05mmHg at 25°C
• Refractive Index: 1.59
• Boiling Point: 339.7 °C at 760 mmHg
• Flash Point: 159.2 °C
• PSA: 39.06000
• Density: 1.13 g/cm³
• LogP: 1.23018
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.126597491
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)CC2=CC(=CC=C2)C#N

Technology Process of 1-(3-Cyanobenzyl)piperazine

There total 4 articles about 1-(3-Cyanobenzyl)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:

piperazine (110-85-0) + m-(bromomethyl)benzonitrile (28188-41-2) → 3-(piperazin-1-ylmethyl)benzonitrile (203047-38-5)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 65 ℃; for 5h;

DOI:10.1016/j.ejmech.2018.09.068

Reference yield:

piperazine (110-85-0) → 3-(piperazin-1-ylmethyl)benzonitrile (203047-38-5)

Guidance literature:

With potassium carbonate; In ethanol; Reflux;

DOI:10.1016/j.bmc.2021.116385

Reference yield:

C20H21N3O2 → 3-(piperazin-1-ylmethyl)benzonitrile (203047-38-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.1007/s11030-020-10158-3

upstream raw materials:

piperazine

m-(bromomethyl)benzonitrile

Downstream raw materials:

3-((4-(2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)methoxy)acetyl)piperazin-1-yl)methyl)benzonitrile

3-((4-(2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)methoxy)acetyl)piperazin-1-yl)methyl)benzonitrile

Refernces

• 1、 Singh, Yash Pal,Shankar, Gauri,Jahan, Shagufta,Singh, Gourav,Kumar, Navneet,Barik, Atanu,Upadhyay, Prabhat,Singh, Lovejit,Kamble, Kajal,Singh, Gireesh Kumar,Tiwari, Sanjay,Garg, Prabha,Gupta, Sarika,Modi, Gyan. "Further SAR studies on natural template based neuroprotective molecules for the treatment of Alzheimer's disease". . . Retrieved 2021/09/04.
• 2、 -. "Substituted Disulfonamide Compounds". Page/Page column 46. . Retrieved 2010/06/22.