1-Benzoyl-3-(3,5-dimethylphenyl)thiourea, 5-[(Benzoylcarbamothioyl)amino]-m-xylene

Base Information

• Chemical Name: 1-Benzoyl-3-(3,5-dimethylphenyl)thiourea, 5-[(Benzoylcarbamothioyl)amino]-m-xylene
• CAS No.: 117174-79-5
• Molecular Formula: C16H16N2OS
• Molecular Weight: 284.382
• Hs Code.: 2930909090
• Mol file: 117174-79-5.mol

Synonyms:1-Benzoyl-3-(3,5-dimethylphenyl)thiourea, 5-[(Benzoylcarbamothioyl)amino]-m-xylene;N-[(3,5-Dimethylphenyl)carbamothioyl]benzamide

Chemical Property of 1-Benzoyl-3-(3,5-dimethylphenyl)thiourea, 5-[(Benzoylcarbamothioyl)amino]-m-xylene

Chemical Property:

• PKA: 8.82±0.70(Predicted)
• PSA: 83.75000
• Density: 1.230±0.06 g/cm3(Predicted)
• LogP: 4.22550

Purity/Quality:

98%Min ^*data from raw suppliers

N-[(3,5-Dimethylphenyl)carbamothioyl]benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-Benzoyl-3-(3,5-dimethylphenyl)thiourea, 5-[(Benzoylcarbamothioyl)amino]-m-xylene

There total 3 articles about 1-Benzoyl-3-(3,5-dimethylphenyl)thiourea, 5-[(Benzoylcarbamothioyl)amino]-m-xylene 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: 87.0%

3,5-dimethylaminoaniline (108-69-0) + Benzoyl isothiocyanate (532-55-8) → N-(3,5-dimethylphenylcarbamothioyl)benzamide (117174-79-5)

Guidance literature:

In acetone; for 0.5h; Heating;

DOI:10.1055/s-1988-27605

Reference yield:

ammonium thiocyanate (1147550-11-5) + benzoyl chloride (98-88-4) + 3,5-dimethylaminoaniline (108-69-0) → N-(3,5-dimethylphenylcarbamothioyl)benzamide (117174-79-5)

Guidance literature:

ammonium thiocyanate; benzoyl chloride; In acetone; at 70 ℃; for 0.25h;

3,5-dimethylaminoaniline; In acetone; at 70 ℃; for 0.5h;

DOI:10.1039/c8md00095f

Reference yield:

benzoyl chloride (98-88-4) → N-(3,5-dimethylphenylcarbamothioyl)benzamide (117174-79-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone / 0.25 h / Heating

2: 87 percent / acetone / 0.5 h / Heating

In acetone;

DOI:10.1055/s-1988-27605

upstream raw materials:

3,5-dimethylaminoaniline

Benzoyl isothiocyanate

benzoyl chloride

ammonium thiocyanate

Downstream raw materials:

1-(3,5-dimethylphenyl)thiourea

Refernces

• 1、 -. "COUMARIN DERIVATIVES AND METHODS OF USE IN TREATING CYSTIC FIBROSIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, AND MISFOLDED PROTEIN DISORDERS". Page/Page column 44; 45. . Retrieved 2014/10/04.
• 2、 Rasmussen, C. R.,Villani, F. J.,Weaner, L. E.,Reynolds, B. E.,Hood, A. R.,et al.. "Improved Procedures for the Preparation of Cycloalkyl-, Arylalkyl-, and Arylthioureas". . p. 456 - 459. Retrieved 2007/10/02.