1-(2-Methyl-benzoyl)-piperazine

Base Information

• Chemical Name: 1-(2-Methyl-benzoyl)-piperazine
• CAS No.: 775579-10-7
• Molecular Formula: C₁₂H₁₆N₂O
• Molecular Weight: 204.272
• Hs Code.: 2933599090
• European Community (EC) Number: 674-770-7
• DSSTox Substance ID: DTXSID00375164
• Wikidata: Q82163694
• Mol file: 775579-10-7.mol

Synonyms:775579-10-7;1-(2-methylbenzoyl)piperazine;1-(2-Methyl-benzoyl)-piperazine;Piperazin-1-yl(o-tolyl)methanone;(2-methylphenyl)-piperazin-1-ylmethanone;MFCD04116564;piperazin-1-yl-o-tolyl-methanone;1-[(2-methylphenyl)carbonyl]piperazine;SCHEMBL5180736;DTXSID00375164;GS3265;STL183869;AKOS000125332;FS-2139;(2-methylphenyl)(piperazin-1-yl)methanone;Piperazin-1-yl-o-tolyl-methanone, AldrichCPR;EN300-299463;A914498

Chemical Property of 1-(2-Methyl-benzoyl)-piperazine

Chemical Property:

• Vapor Pressure: 1.39E-05mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 367.2 °C at 760 mmHg
• Flash Point: 175.9 °C
• PSA: 32.34000
• Density: 1.093 g/cm³
• LogP: 1.30710
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.126263138
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)N2CCNCC2

Technology Process of 1-(2-Methyl-benzoyl)-piperazine

There total 3 articles about 1-(2-Methyl-benzoyl)-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:

C17H24N2O3 → piperazin-1-yl-o-tolyl-methanone (775579-10-7)

Guidance literature:

With trifluoroacetic acid; In chloroform; at 20 ℃; for 8h;

DOI:10.1002/ardp.201700022

Reference yield:

ortho-methylbenzoic acid (118-90-1) → piperazin-1-yl-o-tolyl-methanone (775579-10-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / N,N-dimethyl-formamide / 0.5 h / 20 °C

1.2: 20 °C

2.1: trifluoroacetic acid / chloroform / 8 h / 20 °C

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In chloroform; N,N-dimethyl-formamide;

DOI:10.1002/ardp.201700022

Reference yield:

piperazine (110-85-0) + 4-nitrophenyl 2-methylbenzoate (74738-56-0) → piperazin-1-yl-o-tolyl-methanone (775579-10-7)

Guidance literature:

With hydrogenchloride; In water; dimethyl sulfoxide; at 25 ℃; Kinetics;

DOI:10.1021/jo050172k

upstream raw materials:

piperazine

4-nitrophenyl 2-methylbenzoate

ortho-methylbenzoic acid

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