N-[(2,3-dichlorophenyl)carbamothioyl]benzamide

Base Information

• Chemical Name: N-[(2,3-dichlorophenyl)carbamothioyl]benzamide
• CAS No.: 83697-81-8
• Molecular Formula: C14H10 Cl2 N2 O S
• Molecular Weight: 325.218
• NSC Number: 522106
• DSSTox Substance ID: DTXSID50361173
• ChEMBL ID: CHEMBL3087545
• Mol file: 83697-81-8.mol

Synonyms:N-[(2,3-dichlorophenyl)carbamothioyl]benzamide;83697-81-8;CHEMBL3087545;NSC522106;DTXSID50361173;BDBM50443473;STK041602;AKOS002342477;NSC-522106;N-benzoyl-N'-(2,3-dichlorophenyl)thiourea;AN-648/40681968

Chemical Property of N-[(2,3-dichlorophenyl)carbamothioyl]benzamide

Chemical Property:

• Density: 1.461g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 323.9890895
• Heavy Atom Count: 20
• Complexity: 361

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)Cl

Technology Process of N-[(2,3-dichlorophenyl)carbamothioyl]benzamide

There total 5 articles about N-[(2,3-dichlorophenyl)carbamothioyl]benzamide 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%

2,3-dichloroaniline (608-27-5) + Benzoyl isothiocyanate (532-55-8) → N-(2,3-dichlorophenyl)-N’-benzoylthiourea (83697-81-8)

Guidance literature:

In tetrahydrofuran; at 65 ℃; for 1h;

DOI:10.1021/acs.jmedchem.1c01132

Reference yield:

benzoic acid (65-85-0,8013-63-6) → N-(2,3-dichlorophenyl)-N’-benzoylthiourea (83697-81-8)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / N,N-dimethyl-formamide

2: tetrahydrofuran

3: tetrahydrofuran / 0.17 h / 60 - 65 °C / Microwave irradiation

With thionyl chloride; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2013.10.012

Reference yield:

benzoyl chloride (98-88-4) → N-(2,3-dichlorophenyl)-N’-benzoylthiourea (83697-81-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetone / 0.25 h / Heating

2: 80 percent / acetone / 0.5 h / Heating

In acetone;

DOI:10.1055/s-1988-27605

upstream raw materials:

2,3-dichloroaniline

Benzoyl isothiocyanate

benzoyl chloride

benzoic acid

Downstream raw materials:

C₂₄H₁₃Cl₃N₄O₃S

1-(2,3-dichlorophenyl)thiourea

C₂₅H₁₆Cl₂N₄O₄S

C₂₅H₁₆Cl₂N₄O₃S