Benzamide, N-[[(2-chlorophenyl)amino]thioxomethyl]-

Base Information

• Chemical Name: Benzamide, N-[[(2-chlorophenyl)amino]thioxomethyl]-
• CAS No.: 21258-05-9
• Molecular Formula: C14H11ClN2OS
• Molecular Weight: 290.773
• Hs Code.: 2930909090
• European Community (EC) Number: 653-822-2
• NSC Number: 523942
• DSSTox Substance ID: DTXSID70175512
• Nikkaji Number: J49.073C
• ChEMBL ID: CHEMBL3087543
• Mol file: 21258-05-9.mol

Synonyms:21258-05-9;N-[(2-chlorophenyl)carbamothioyl]benzamide;USAF K-1469;Benzamide, N-[[ (2-chlorophenyl)amino]thioxomethyl]-;CHEMBL3087543;Urea, 1-benzoyl-3-(o-chlorophenyl)-2-thio-;Urea, 1-benzoyl-3-(2-chlorophenyl)-2-thio-;NSC 523942;3-Benzoyl-1-(o-chlorophenyl)-2-thiourea;1-BENZOYL-3-(2-CHLOROPHENYL)THIOUREA;Benzamide, N-(((2-chlorophenyl)amino)thioxomethyl)-;Benzamide, N-[[(2-chlorophenyl)amino]thioxomethyl]-;N-((2-Chlorophenyl)carbamothioyl)benzamide;n-benzoyl-n'-(2-chlorophenyl)thiourea;NSC523942;AURORA 1039;SCHEMBL5458132;DTXSID70175512;BDBM50443476;N-benzoyl N'-o-chlorophenyl thiourea;STK947879;AKOS001050725;CCG-237109;NSC-523942;N'-Benzoyl-N-(o-cholorophenyl)thiourea;LS-158913;CS-0361973;EN300-25674475;Z56063435

Chemical Property of Benzamide, N-[[(2-chlorophenyl)amino]thioxomethyl]-

Chemical Property:

• PSA: 73.22000
• Density: 1.38g/cm³
• LogP: 3.93070
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 290.0280618
• Heavy Atom Count: 19
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

1-BENZOYL-3-(2-CHLOROPHENYL)-2-THIOUREA Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2Cl

Technology Process of Benzamide, N-[[(2-chlorophenyl)amino]thioxomethyl]-

There total 10 articles about Benzamide, N-[[(2-chlorophenyl)amino]thioxomethyl]- 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: 98.0%

o-chloroaniline (95-51-2) + Benzoyl isothiocyanate (532-55-8) → N-benzoyl-N'-(2-chlorophenyl)thiourea (21258-05-9)

Guidance literature:

In N,N-dimethyl-formamide; Heating;

Reference yield: 93.0%

potassium thioacyanate (333-20-0) + benzoyl chloride (98-88-4) + o-chloroaniline (95-51-2) → N-benzoyl-N'-(2-chlorophenyl)thiourea (21258-05-9)

Guidance literature:

potassium thioacyanate; benzoyl chloride; for 1h;

o-chloroaniline; for 4h;

DOI:10.1080/00958972.2020.1771558

Reference yield:

benzoyl chloride (98-88-4) + o-chloroaniline (95-51-2) → N-benzoyl-N'-(2-chlorophenyl)thiourea (21258-05-9)

Guidance literature:

benzoyl chloride; With ammonium thiocyanate; In acetone; at 20 ℃; for 2h;

o-chloroaniline; In acetone; at 20 ℃; for 12h;

DOI:10.1016/j.bioorg.2020.104271

upstream raw materials:

o-chloroaniline

Benzoyl isothiocyanate

benzoyl chloride

benzoic acid

Downstream raw materials:

1-(2-chlorophenyl)-2-methylisothiouronium iodide

4-chlorobenzo[d]thiazol-2-amine

4-chlorobenzo[d]thiazol-2(3H)-one

2,4-dichlorobenzo[d]thiazole

Refernces

• 1、 Gul, Rukhsana,Khan, Azim,Badshah, Amin,Rauf, Muhammad Khawar,Shah, Afzal,-Rehman, Zia-Ur,Bano, Asghari,Naz, Rabia,Tahir, Muhammad Nawaz. "New supramolecular ferrocenyl phenylguanidines as potent antimicrobial and DNA-binding agents". . p. 1959 - 1973. Retrieved 2013.
• 2、 Abreu, Lethícia O.,Bispo, Marcelle L. F.,Brito, Tiago O.,Gomes, Karen M.,Louren?o, Maria C. S.,Macedo, Fernando,Pereira, Patricia M. L.,Tisher, Cesar A.,Yamada-Ogatta, Sueli F.,de Fátima, ?ngelo. "Benzoylthioureas: Design, synthesis and antimycobacterial evaluation". . p. 93 - 103. Retrieved 2020/02/04.