4-Benzyl-1-phenethyl-piperazine-2,6-dione

Base Information

• Chemical Name: 4-Benzyl-1-phenethyl-piperazine-2,6-dione
• CAS No.: 106148-27-0
• Molecular Formula: C19H20N2O2
• Molecular Weight: 308.38
• European Community (EC) Number: 600-719-5
• DSSTox Substance ID: DTXSID30367350
• Wikidata: Q82153132
• Mol file: 106148-27-0.mol

Synonyms:4-Benzyl-1-phenethyl-piperazine-2,6-dione;106148-27-0;4-benzyl-1-phenethyl-2,6-piperazinedione;BAS 00347765;Cambridge id 5705696;SCHEMBL16334884;DTXSID30367350;FDHZQDHDJVZPMI-UHFFFAOYSA-N;HMS1607D12;AKOS000541925;4-benzyl-1-(2-phenylethyl)piperazine-2,6-dione;SR-01000394292;SR-01000394292-1;BRD-K46356422-001-01-5

Chemical Property of 4-Benzyl-1-phenethyl-piperazine-2,6-dione

Chemical Property:

• Vapor Pressure: 7.21E-10mmHg at 25°C
• Boiling Point: 493.2oC at 760 mmHg
• Flash Point: 220.8oC
• PSA: 40.62000
• Density: 1.194g/cm3
• LogP: 1.97590
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 308.152477885
• Heavy Atom Count: 23
• Complexity: 394

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)N(C(=O)CN1CC2=CC=CC=C2)CCC3=CC=CC=C3

Technology Process of 4-Benzyl-1-phenethyl-piperazine-2,6-dione

There total 3 articles about 4-Benzyl-1-phenethyl-piperazine-2,6-dione 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: 93.0%

N-benzyliminodiacetic acid (3987-53-9) + phenethylamine (64-04-0) → 1-(2-phenylethyl)-4-benzyl-2,6-piperazinedione (106148-27-0)

Guidance literature:

N-benzyliminodiacetic acid; With acetic anhydride; at 90 ℃; for 1h;

phenethylamine; In ethyl acetate; at 20 ℃; for 1h;

With acetic anhydride; triethylamine; In ethyl acetate; at 55 ℃; for 4h; Temperature; Solvent; Reagent/catalyst;

Reference yield: 70.0%

C11H11NO4(2-)*2K(1+) + phenethylamine (64-04-0) → 1-(2-phenylethyl)-4-benzyl-2,6-piperazinedione (106148-27-0)

Guidance literature:

C₁₁H₁₁NO₄^(2-)*2K⁽¹⁺⁾; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; for 0.166667h; Reflux;

phenethylamine; In tetrahydrofuran; for 24h; Reflux;

DOI:10.3762/bjoc.13.46

Reference yield:

phenethylamine (64-04-0) + N-benzyliminodiacetic anhydride acid (67305-69-5) → 1-(2-phenylethyl)-4-benzyl-2,6-piperazinedione (106148-27-0)

Guidance literature:

phenethylamine; N-benzyliminodiacetic anhydride acid; In ethyl acetate; at 20 ℃;

With acetic anhydride; triethylamine; In ethyl acetate; at 55 ℃; for 4h; Temperature; Reagent/catalyst; Solvent;

upstream raw materials:

N-benzyliminodiacetic acid

phenethylamine

N-benzyliminodiacetic anhydride acid

Downstream raw materials:

4-benzyl-6-hydroxy-1-phenethylpiperazin-2-one

2-cyclohexanecarbonyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one

2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one

2-benzyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino<2,1-a>isoquinolin-4-one