Piperazin-1-yl-m-tolyl-methanone hydrochloride

Base Information

• Chemical Name: Piperazin-1-yl-m-tolyl-methanone hydrochloride
• CAS No.: 100940-01-0
• Molecular Formula: C12H17ClN2O
• Molecular Weight: 240.73
• European Community (EC) Number: 673-868-7
• DSSTox Substance ID: DTXSID60375165
• Mol file: 100940-01-0.mol

Synonyms:Piperazin-1-yl-m-tolyl-methanone hydrochloride;100940-01-0;(3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride;piperazin-1-yl(m-tolyl)methanone hydrochloride;DTXSID60375165;MFCD08444057;AKOS015947979;1-(3-methylbenzoyl)piperazine hydrochloride;CS-0339949;piperazin-1-yl-m-tolylmethanone hydrochloride;J-000282

Chemical Property of Piperazin-1-yl-m-tolyl-methanone hydrochloride

Chemical Property:

• Melting Point: 228-230°C
• PSA: 32.34000
• LogP: 2.10910
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 240.1029409
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

98%min ^*data from raw suppliers

Piperazin-1-yl-m-tolyl-methanoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)N2CCNCC2.Cl

Technology Process of Piperazin-1-yl-m-tolyl-methanone hydrochloride

There total 3 articles about Piperazin-1-yl-m-tolyl-methanone hydrochloride 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: 65.0%

4-(3-Methyl-benzoyl)-piperazine-1-carbaldehyde (100940-07-6) → Piperazin-1-yl-m-tolyl-methanone; hydrochloride (100940-01-0)

Guidance literature:

With hydrogenchloride; In methanol; for 18h; Ambient temperature;

DOI:10.1021/jm00155a008

Reference yield:

3-Methylbenzoyl chloride (1711-06-4) → Piperazin-1-yl-m-tolyl-methanone; hydrochloride (100940-01-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaHCO₃ / CHCl₃ / 18 h / Ambient temperature

2: 65 percent / conc. HCl / methanol / 18 h / Ambient temperature

With hydrogenchloride; sodium hydrogencarbonate; In methanol; chloroform;

DOI:10.1021/jm00155a008

Reference yield:

m-Toluic acid (99-04-7) → Piperazin-1-yl-m-tolyl-methanone; hydrochloride (100940-01-0)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / 3 h / Heating

2: NaHCO₃ / CHCl₃ / 18 h / Ambient temperature

3: 65 percent / conc. HCl / methanol / 18 h / Ambient temperature

With hydrogenchloride; thionyl chloride; sodium hydrogencarbonate; In methanol; chloroform;

DOI:10.1021/jm00155a008

upstream raw materials:

4-(3-Methyl-benzoyl)-piperazine-1-carbaldehyde

3-Methylbenzoyl chloride

m-Toluic acid

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