1-Benzoyl-4-(4-tolyl)thiosemicarbazide

Base Information

• Chemical Name: 1-Benzoyl-4-(4-tolyl)thiosemicarbazide
• CAS No.: 38240-76-5
• Molecular Formula: C15H15N3OS
• Molecular Weight: 285.37
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30191632
• Mol file: 38240-76-5.mol

Synonyms:1-benzoyl-4-(4-tolyl)thiosemicarbazide;1-benzoyl-4-(para-tolyl)thiosemicarbazide;1-BTTC

Chemical Property of 1-Benzoyl-4-(4-tolyl)thiosemicarbazide

Chemical Property:

• PSA: 95.78000
• Density: 1.275g/cm³
• LogP: 3.68550
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 285.09358328
• Heavy Atom Count: 20
• Complexity: 334

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2

Technology Process of 1-Benzoyl-4-(4-tolyl)thiosemicarbazide

There total 4 articles about 1-Benzoyl-4-(4-tolyl)thiosemicarbazide 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: 96.0%

di-2-pyridyl thionocarbonate (96989-50-3) + p-toluidine (106-49-0,12221-03-3) + benzoic acid hydrazide (613-94-5) → 4-(4-methylphenyl)-1-benzoyl-thiosemicarbazide (38240-76-5)

Guidance literature:

di-2-pyridyl thionocarbonate; p-toluidine; In N,N-dimethyl-formamide; at 55 ℃; for 1.5h;

benzoic acid hydrazide; In N,N-dimethyl-formamide; at 55 ℃; for 1.5h; Further stages.;

DOI:10.1016/j.tetlet.2007.09.094

Reference yield:

benzoic acid hydrazide (613-94-5) + 1-isothiocyanato-4-methylbenzene (622-59-3) → 4-(4-methylphenyl)-1-benzoyl-thiosemicarbazide (38240-76-5)

Guidance literature:

Reference yield:

4-tolyl thiocyanate (5285-74-5) + benzoic acid hydrazide (613-94-5) → 4-(4-methylphenyl)-1-benzoyl-thiosemicarbazide (38240-76-5)

Guidance literature:

In methanol; at 20 ℃; for 4h;

DOI:10.1016/j.tet.2012.11.071

upstream raw materials:

benzoic acid hydrazide

1-isothiocyanato-4-methylbenzene

di-2-pyridyl thionocarbonate

p-toluidine

Downstream raw materials:

N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine

5-phenyl-N-(p-tolyl)-1,3,4-oxadiazol-2-amine

N-(phenyl-[1,3,4]thiadiazol-2-yl)-N-p-tolyl-acetamide

4-(4-methylphenyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione