[2-(4-Chlorophenyl)acetohydrazido]methanimidamide

Base Information

• Chemical Name: [2-(4-Chlorophenyl)acetohydrazido]methanimidamide
• CAS No.: 501919-85-3
• Molecular Formula: C₉H₁₁ClN₄O
• Molecular Weight: 226.666
• DSSTox Substance ID: DTXSID501186826
• Mol file: 501919-85-3.mol

Synonyms:DTXSID501186826;AHO100580;[2-(4-chlorophenyl)acetohydrazido]methanimidamide;Benzeneacetic acid, 4-chloro-, 2-(aminoiminomethyl)hydrazide;501919-85-3

Chemical Property of [2-(4-Chlorophenyl)acetohydrazido]methanimidamide

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.0621387
• Heavy Atom Count: 15
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)NN=C(N)N)Cl

Technology Process of [2-(4-Chlorophenyl)acetohydrazido]methanimidamide

There total 1 articles about [2-(4-Chlorophenyl)acetohydrazido]methanimidamide 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:

2-(4-chlorophenyl)acetic hydrazide (57676-51-4) + 2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0) → C9H11ClN4O (501919-85-3)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 72h;

DOI:10.1016/j.ejmech.2013.06.051

Reference yield:

C9H11ClN4O (501919-85-3) → 5-(4-chloro-benzyl)-1H-[1,2,4]triazol-3-ylamine (90649-64-2)

Guidance literature:

In water; at 180 ℃; Microwave irradiation;

DOI:10.1016/j.ejmech.2013.06.051

Reference yield:

C9H11ClN4O (501919-85-3) → 2-(4-chlorobenzyl)-5-thioxo-5,6-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(4H)-one (1456613-92-5)

Guidance literature:

Multi-step reaction with 3 steps

1: water / 180 °C / Microwave irradiation

2: N,N-dimethyl-formamide / 5 h / 20 °C

3: sodium hydroxide / ethanol; water / 0.33 h / 100 °C

With sodium hydroxide; In ethanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2013.06.051

upstream raw materials:

2-(4-chlorophenyl)acetic hydrazide

2-methylisothiourea sulphate

Downstream raw materials:

5-(4-chloro-benzyl)-1H-[1,2,4]triazol-3-ylamine

C₁₃H₁₄ClN₅O₂S

2-(4-chlorobenzyl)-5-thioxo-5,6-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7(4H)-one