5-Chloro-2-(piperazin-1-yl)benzonitrile

Base Information

• Chemical Name: 5-Chloro-2-(piperazin-1-yl)benzonitrile
• CAS No.: 182181-36-8
• Molecular Formula: C₁₁H₁₂ClN₃
• Molecular Weight: 221.689
• DSSTox Substance ID: DTXSID50598422
• Wikidata: Q82494179

Synonyms:5-Chloro-2-(piperazin-1-yl)benzonitrile;182181-36-8;Benzonitrile, 5-chloro-2-(1-piperazinyl)-;5-chloro-2-piperazin-1-ylbenzonitrile;SCHEMBL654285;DTXSID50598422;IVPNTGSEDGDHOZ-UHFFFAOYSA-N;AKOS011784140;5-chloro-2-piperazin-1-yl-benzonitrile;DB-107518;EN300-9199795

Chemical Property of 5-Chloro-2-(piperazin-1-yl)benzonitrile

Chemical Property:

• Boiling Point: 397.4±42.0 °C(Predicted)
• Density: 1.28±0.1 g/cm3(Predicted)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 221.0719751
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

5-CHLORO-2-(PIPERAZIN-1-YL)BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Chloro-2-(piperazin-1-yl)benzonitrile

There total 7 articles about 5-Chloro-2-(piperazin-1-yl)benzonitrile 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:

4-(4-chloro-2-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (849106-84-9) → 2-(1-piperazinyl)-5-chlorobenzonitrile (182181-36-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

Reference yield:

4-(4-chloro-2-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester (849106-84-9) + sodium hydrogencarbonate (144-55-8) → 2-(1-piperazinyl)-5-chlorobenzonitrile (182181-36-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

Reference yield:

piperazine (110-85-0) + 2,5-dichlorobenzonitrile (21663-61-6) → 2-(1-piperazinyl)-5-chlorobenzonitrile (182181-36-8)

Guidance literature:

In methanol; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

piperazine

5-chloro-2-fluorobenzonitrile

2,5-dichlorobenzonitrile

4-(4-chloro-2-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

5-Chloro-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-piperazinyl]benzonitrile

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