2-Piperazinecarboxamide, 1,4-bis(phenylmethyl)-N-propyl-

Base Information

• Chemical Name: 2-Piperazinecarboxamide, 1,4-bis(phenylmethyl)-N-propyl-
• CAS No.: 646523-38-8
• Molecular Formula: C22H29N3O
• Molecular Weight: 351.492
• DSSTox Substance ID: DTXSID70458539
• Mol file: 646523-38-8.mol

Synonyms:646523-38-8;2-Piperazinecarboxamide, 1,4-bis(phenylmethyl)-N-propyl-;DTXSID70458539

Chemical Property of 2-Piperazinecarboxamide, 1,4-bis(phenylmethyl)-N-propyl-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 351.231062557
• Heavy Atom Count: 26
• Complexity: 416

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC(=O)C1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

Technology Process of 2-Piperazinecarboxamide, 1,4-bis(phenylmethyl)-N-propyl-

There total 5 articles about 2-Piperazinecarboxamide, 1,4-bis(phenylmethyl)-N-propyl- 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: 74.0%

1,4-dibenzyl-2-hexoxymethyl-piperazine (111760-58-8) + propylamine (107-10-8,42939-71-9) → 1,4-dibenzyl-piperazine-2-carboxylic acid propylamide (646523-38-8)

Guidance literature:

propylamine; With trimethylaluminum; In toluene; at 0 ℃; for 1h;

1,4-dibenzyl-2-hexoxymethyl-piperazine; In toluene; for 4h; Further stages.; Heating;

DOI:10.1039/b303952h

Reference yield: 74.0%

propylamine (107-10-8,42939-71-9) + ethyl 1,4-dibenzylpiperazin-2-carboxylate (72351-59-8) → 1,4-dibenzyl-piperazine-2-carboxylic acid propylamide (646523-38-8)

Guidance literature:

propylamine; With trimethylaluminum; In toluene; at 10 ℃; for 1h;

ethyl 1,4-dibenzylpiperazin-2-carboxylate; In toluene; for 4h; Heating;

DOI:10.1039/b413173h

Reference yield:

N,N'-Dibenzylethylenediamine (140-28-3,87170-83-0) → 1,4-dibenzyl-piperazine-2-carboxylic acid propylamide (646523-38-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 90 percent / toluene / Heating

2.1: AlMe₃ / toluene / 1 h / 10 °C

2.2: 74 percent / toluene / 4 h / Heating

With trimethylaluminum; In toluene;

DOI:10.1039/b413173h

upstream raw materials:

propylamine

ethyl 1,4-dibenzylpiperazin-2-carboxylate

1,4-dibenzyl-2-hexoxymethyl-piperazine

N,N'-Dibenzylethylenediamine

Downstream raw materials:

piperazine-2-carboxylic acid propylamide