(2-Chlorophenyl)(piperazin-1-yl)methanone

Base Information

• Chemical Name: (2-Chlorophenyl)(piperazin-1-yl)methanone
• CAS No.: 13754-45-5
• Molecular Formula: C11H13ClN2O
• Molecular Weight: 224.69
• Hs Code.: 2933599090
• European Community (EC) Number: 673-869-2
• DSSTox Substance ID: DTXSID50366183
• Wikidata: Q82151303
• ChEMBL ID: CHEMBL1378602
• Mol file: 13754-45-5.mol

Synonyms:13754-45-5;(2-chlorophenyl)(piperazin-1-yl)methanone;1-(2-chlorobenzoyl)piperazine;1-(2-Chloro-benzoyl)-piperazine;(2-chlorophenyl)-piperazin-1-ylmethanone;MFCD04116574;1-(2-chloro benzoyl)piperazine;1-(2-Chlorobenzoyl)-piperazine;SMR000154456;(2-Chloro-phenyl)-piperazin-1-yl-methanone;MLS000568125;1-(o-chlorobenzoyl)-piperazine;SCHEMBL6673835;CHEMBL1378602;DTXSID50366183;HMS2308A20;GS3258;STL183441;AKOS000117772;FS-1617;(2-chlorophenyl)-piperazin-1-yl-methanone;FT-0656500;1-(2-chloro-benzoyl)-piperazine, AldrichCPR;EN300-40745;A807272;J-007036;Z57048945

Chemical Property of (2-Chlorophenyl)(piperazin-1-yl)methanone

Chemical Property:

• Vapor Pressure: 4.3E-06mmHg at 25°C
• Melting Point: 195 °C
• Refractive Index: 1.57
• Boiling Point: 383.8 °C at 760 mmHg
• PKA: 8.44±0.10(Predicted)
• Flash Point: 185.9 °C
• PSA: 32.34000
• Density: 1.231 g/cm³
• LogP: 1.65210
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 224.0716407
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C(=O)C2=CC=CC=C2Cl

Technology Process of (2-Chlorophenyl)(piperazin-1-yl)methanone

There total 7 articles about (2-Chlorophenyl)(piperazin-1-yl)methanone 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: 80.5%

piperazine (110-85-0) + o-chlorobenzoyl chloride (609-65-4) → 1-(2-chlorobenzoyl)-piperazine (13754-45-5)

Guidance literature:

In ethanol; at 20 ℃;

DOI:10.1016/j.ejmech.2010.02.008

Reference yield:

piperazine (110-85-0) + ortho-chlorobenzoic acid (118-91-2) → 1-(2-chlorobenzoyl)-piperazine (13754-45-5)

Guidance literature:

ortho-chlorobenzoic acid; With pivaloyl chloride; triethylamine; In dichloromethane; at 20 ℃;

piperazine; In ethanol; dichloromethane;

DOI:10.1016/j.bmcl.2015.08.013

Reference yield:

piperazine (110-85-0) + piperazine dihydrochloride (142-64-3,8006-71-1) + ortho-chlorobenzoic acid (118-91-2) → 1-(2-chlorobenzoyl)-piperazine (13754-45-5)

Guidance literature:

ortho-chlorobenzoic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; for 0.5h;

piperazine; piperazine dihydrochloride; With sodium chloride; In tetrahydrofuran; water; at 20 ℃; for 5h;

DOI:10.1016/j.bmc.2014.10.030

upstream raw materials:

piperazine

o-chlorobenzoyl chloride

piperazine dihydrochloride

ortho-chlorobenzoic acid

Downstream raw materials:

C₂₁H₁₉ClN₂O₃

C₂₁H₁₇ClN₂O₄

2-[4-(2-chlorobenzoyl)-1-piperazinomethyl]-3,5,6-trimethylpyrazine

C₂₇H₃₁ClF₃N₅O₃