Benzyl 2-benzylpiperazine-1-carboxylate

Base Information

• Chemical Name: Benzyl 2-benzylpiperazine-1-carboxylate
• CAS No.: 481038-64-6
• Molecular Formula: C19H22N2O2
• Molecular Weight: 310.396
• DSSTox Substance ID: DTXSID50591413
• Mol file: 481038-64-6.mol

Synonyms:481038-64-6;benzyl 2-benzylpiperazine-1-carboxylate;1-N-CBZ-2-BENZYL PIPERAZINE;Benzyl 2-benzyl-1-piperazinecarboxylate;SCHEMBL21594461;DTXSID50591413;DB-070914;A26371

Chemical Property of Benzyl 2-benzylpiperazine-1-carboxylate

Chemical Property:

• PSA: 41.57000
• Density: 1.148
• LogP: 3.10640
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 310.168127949
• Heavy Atom Count: 23
• Complexity: 362

Purity/Quality:

97% ^*data from raw suppliers

1-N-CBZ-2-Benzylpiperazine >96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(CN1)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Technology Process of Benzyl 2-benzylpiperazine-1-carboxylate

There total 5 articles about Benzyl 2-benzylpiperazine-1-carboxylate 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: 89.0%

1-benzyl-4-(tert-butyl)-2-benzylpiperazine-1,4-dicarboxylate → benzyl-2-benzylpiperazine-1-carboxylate (481038-64-6)

Guidance literature:

In acetonitrile; at 300 ℃;

DOI:10.1021/acs.orglett.6b00378

Reference yield:

3-benzyl-piperazine-1-carboxylic acid tert-butyl ester (502649-29-8) → benzyl-2-benzylpiperazine-1-carboxylate (481038-64-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂

2: TFA / CH₂Cl₂

With triethylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1016/j.bmcl.2004.06.065

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) + 3-benzyl-piperazine-1-carboxylic acid tert-butyl ester (502649-29-8) → benzyl-2-benzylpiperazine-1-carboxylate (481038-64-6)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / tetrahydrofuran

2: acetonitrile / 300 °C

With triethylamine; In tetrahydrofuran; acetonitrile;

DOI:10.1021/acs.orglett.6b00378

upstream raw materials:

benzyl chloroformate

3-benzyl-piperazine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

2-benzyl-4-[(3-nitro-phenylcarbamoyl)-methyl]-piperazine-1-carboxylic acid benzyl ester

4-[(3-amino-phenylcarbamoyl)-methyl]-2-benzyl-piperazine-1-carboxylic acid benzyl ester

2-benzyl-4-[(3-methanesulfonylamino-phenylcarbamoyl)-methyl]-piperazine-1-carboxylic acid benzyl ester