N-(4-Methyl-1-piperazinyl)-N'-(phenylmethyl)thiourea

Base Information

• Chemical Name: N-(4-Methyl-1-piperazinyl)-N'-(phenylmethyl)thiourea
• CAS No.: 21492-34-2
• Molecular Formula: C₁₃H₂₀N₄S
• Molecular Weight: 264.395
• DSSTox Substance ID: DTXSID701217227
• Mol file: 21492-34-2.mol

Synonyms:Oprea1_271407;DTXSID701217227;AKOS003720313;N-(4-Methyl-1-piperazinyl)-N'-(phenylmethyl)thiourea;21492-34-2

Chemical Property of N-(4-Methyl-1-piperazinyl)-N'-(phenylmethyl)thiourea

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 264.14086783
• Heavy Atom Count: 18
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)NC(=S)NCC2=CC=CC=C2

Technology Process of N-(4-Methyl-1-piperazinyl)-N'-(phenylmethyl)thiourea

There total 2 articles about N-(4-Methyl-1-piperazinyl)-N'-(phenylmethyl)thiourea 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: 88.0%

N-amino-N'-methylpiperazine (6928-85-4) + Benzyl isothiocyanate (622-78-6) → 1-(4-methylpiperazin-1-yl)-3-benzylthiourea (21492-34-2)

Guidance literature:

In ethanol; for 1h; Reflux;

DOI:10.1002/jhet.2551

Reference yield:

→ 1-(4-methylpiperazin-1-yl)-3-benzylthiourea (21492-34-2)

Guidance literature:

1-Amino-4-methyl-piperazin, Benzylisothiocyanat;

DOI:10.1021/jm00303a622

upstream raw materials:

N-amino-N'-methylpiperazine

Benzyl isothiocyanate