Urea, N-[[1,4-bis(phenylmethyl)-2-piperazinyl]methyl]-N'-hexyl-

Base Information

• Chemical Name: Urea, N-[[1,4-bis(phenylmethyl)-2-piperazinyl]methyl]-N'-hexyl-
• CAS No.: 819075-26-8
• Molecular Formula: C26H38N4O
• Molecular Weight: 422.614
• DSSTox Substance ID: DTXSID40464248
• Mol file: 819075-26-8.mol

Synonyms:819075-26-8;Urea, N-[[1,4-bis(phenylmethyl)-2-piperazinyl]methyl]-N'-hexyl-;DTXSID40464248

Chemical Property of Urea, N-[[1,4-bis(phenylmethyl)-2-piperazinyl]methyl]-N'-hexyl-

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 422.30456185
• Heavy Atom Count: 31
• Complexity: 488

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCNC(=O)NCC1CN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3

Technology Process of Urea, N-[[1,4-bis(phenylmethyl)-2-piperazinyl]methyl]-N'-hexyl-

There total 1 articles about Urea, N-[[1,4-bis(phenylmethyl)-2-piperazinyl]methyl]-N'-hexyl- 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: 92.0%

Hexyl isocyanate (2525-62-4,26746-07-6) + 2-aminomethyl-1,4-di-phenylmethyl piperazine (116163-33-8,1035052-05-1,1035052-07-3) → 1,4-dibenzyl-2-(hexylaminocarbonylaminomethyl)piperazine (819075-26-8)

Guidance literature:

In diethyl ether; at 20 ℃; for 2h;

DOI:10.1021/jm040860g

Reference yield:

1,4-dibenzyl-2-(hexylaminocarbonylaminomethyl)piperazine (819075-26-8) → 1-[1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl]-3-hexyl-urea

Guidance literature:

Multi-step reaction with 2 steps

1: 83.5 percent / H₂ / Pd/C / 40 °C

2: 46 percent / Et₃N / CH₂Cl₂ / 20 °C

With hydrogen; triethylamine; palladium on activated charcoal; In dichloromethane;

DOI:10.1021/jm040860g

upstream raw materials:

Hexyl isocyanate

2-aminomethyl-1,4-di-phenylmethyl piperazine