1-(4-Methylbenzoyl)piperazine

Base Information

• Chemical Name: 1-(4-Methylbenzoyl)piperazine
• CAS No.: 111752-26-2
• Molecular Formula: C12H16N2O
• Molecular Weight: 204.272
• Hs Code.: 2933599090
• European Community (EC) Number: 675-195-4
• DSSTox Substance ID: DTXSID80375167
• Nikkaji Number: J1.518.008K
• Wikidata: Q82163697
• Mol file: 111752-26-2.mol

Synonyms:1-(4-methylbenzoyl)piperazine;111752-26-2;Piperazin-1-yl(p-tolyl)methanone;1-(4-Methyl-benzoyl)-piperazine;(4-methylphenyl)-piperazin-1-ylmethanone;Piperazin-1-yl-p-tolyl-methanone;Piperazine, 1-(4-methylbenzoyl)-;MFCD04116566;1-[(4-methylphenyl)carbonyl]piperazine;(4-methylphenyl)(piperazin-1-yl)methanone;piperazin-1-yl-p-tolylmethanone;SCHEMBL12017808;DTXSID80375167;(piperazin-1-yl)(p-tolyl)methanone;GS3253;STL183440;AKOS000130008;FS-1808;SY004178;FT-0716971;EN300-39988;A802406

Chemical Property of 1-(4-Methylbenzoyl)piperazine

Chemical Property:

• Vapor Pressure: 1.23E-05mmHg at 25°C
• Refractive Index: 1.553
• Boiling Point: 368.9 °C at 760 mmHg
• PKA: 8.39±0.10(Predicted)
• Flash Point: 176.9 °C
• PSA: 32.34000
• Density: 1.093 g/cm³
• LogP: 1.30710
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.126263138
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Methylbenzoyl)piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Methylbenzoyl)piperazine

There total 13 articles about 1-(4-Methylbenzoyl)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: 95.0%

piperazine (110-85-0) + p-Toluic acid (99-94-5) → piperazin-1-yl(p-tolyl)methanone (111752-26-2)

Guidance literature:

p-Toluic acid; With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 0 - 5 ℃; for 0.25h;

piperazine; With pyridine; In dichloromethane; at 20 ℃; for 0.666667h;

DOI:10.1081/SCC-200026630

Reference yield: 91.0%

piperazine (110-85-0) + 4-methyl-benzaldehyde (104-87-0) → piperazin-1-yl(p-tolyl)methanone (111752-26-2)

Guidance literature:

piperazine; With C₅₈H₉₂La₂N₆O₄Si₄; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

4-methyl-benzaldehyde; In tetrahydrofuran; for 3h; Inert atmosphere;

Reference yield:

piperazine (110-85-0) + 4-nitrophenyl 4-methylbenzoate (15023-67-3) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + piperazin-1-yl(p-tolyl)methanone (111752-26-2)

Guidance literature:

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

DOI:10.1021/jo000482x

upstream raw materials:

piperazine

2,4-dinitrophenyl 4-methylbenzoate

4-nitrophenyl 4-methylbenzoate

p-toluic pivalic anhydride

Downstream raw materials:

C₂₂H₂₀N₂O₄

N-{[1-(2-(4-(4-methylbezoyl)piperazine-1-yl)ethyl)-pyrrolidine-(3R)-yl-carbamoyl]-methyl}-3-trifluoromethylbenzamide

4-methyl-7-{2-[4-(4-methylbenzoyl)piperazin-1-yl]ethoxy}-2H-chromen-2-one

4-methyl-7-{4-[4-(4-methylphenyl)piperazin-1-yl]butoxy}-2H-chromen-2-one