4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

Base Information

• Chemical Name: 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
• CAS No.: 78721-53-6
• Molecular Formula: C12H16 N4 O2 S
• Molecular Weight: 280.346
• NSC Number: 213762
• DSSTox Substance ID: DTXSID90387599
• ChEMBL ID: CHEMBL1462739
• Mol file: 78721-53-6.mol

Synonyms:4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide;78721-53-6;AK-968/41026801;4-methyl-N-(4-nitrophenyl)piperazine-1-carboximidothioic acid;NSC213762;Oprea1_640167;MLS000573343;CHEMBL1462739;SCHEMBL14574163;DTXSID90387599;SXQZCXHNYYVDNL-UHFFFAOYSA-N;HMS2190A15;STK073453;AKOS000962593;NSC-213762;SMR000194845;SR-01000233304;SR-01000233304-1;4-methyl-N-(4-nitrophenyl)-1-piperazinecarbothioamide;N-{4-nitrophenyl}-4-methyl-1-piperazinecarbothioamide

Chemical Property of 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

Chemical Property:

• Vapor Pressure: 5.93E-07mmHg at 25°C
• Boiling Point: 410.6°C at 760 mmHg
• Flash Point: 202.1°C
• Density: 1.355g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 280.09939694
• Heavy Atom Count: 19
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

There total 2 articles about 4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide 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: 81.6%

1-methyl-piperazine (109-01-3) + p-nitrophenyl isothiocyanate (2131-61-5) → N-(4-nitrophenyl)-1-methyl-4-piperazinylthiocarboxamide (78721-53-6)

Guidance literature:

In benzene; for 3h; Ambient temperature;

Reference yield:

→ N-(4-nitrophenyl)-1-methyl-4-piperazinylthiocarboxamide (78721-53-6)

Guidance literature:

Reference yield: 75.0%

N-(4-nitrophenyl)-1-methyl-4-piperazinylthiocarboxamide (78721-53-6) → 4-Methyl-piperazine-1-carbothioic acid (4-amino-phenyl)-amide (78721-67-2)

Guidance literature:

With ammonia; iron(II) sulfate; In water; Heating;

upstream raw materials:

1-methyl-piperazine

p-nitrophenyl isothiocyanate

Downstream raw materials:

4-Methyl-piperazine-1-carbothioic acid (4-amino-phenyl)-amide

4-Methyl-piperazine-1-carboxylic acid (4-isothiocyanato-phenyl)-amide

Refernces

• 1、 Abuzar,Syed,Sharma, Satyavan. "Synthesis of Substituted Thiocarboxamides, Carboxamides and Thioureas as Potential Anthelmintic and Antimicrobial Agents". . p. 230 - 233. Retrieved 2007/10/02.