2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(3-chlorophenyl)-

Base Information

• Chemical Name: 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(3-chlorophenyl)-
• CAS No.: 79759-80-1
• Molecular Formula: C13H8 Cl2 N2 O
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID40229899
• Wikidata: Q83110272
• Mol file: 79759-80-1.mol

Synonyms:79759-80-1;BRN 5558655;2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(3-chlorophenyl)-;1,3-Dihydro-6-chloro-1-(3-chlorophenyl)-2H-benzimidazol-2-one;SCHEMBL8883239;DTXSID40229899;OARTUDLHQLLYAA-UHFFFAOYSA-N;LS-33290;5-chloro-3-(3-chlorophenyl)-1,3-dihydro-2H-benzimidazol-2-one

Chemical Property of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(3-chlorophenyl)-

Chemical Property:

• PSA: 38.05000
• Density: 1.467g/cm³
• LogP: 4.03790
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 278.0013683
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

1,3-DIHYDRO-6-CHLORO-1-(3-CHLOROPHENYL)-2H-BENZIMIDAZOL-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)N2C3=C(C=CC(=C3)Cl)NC2=O

Technology Process of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(3-chlorophenyl)-

There total 4 articles about 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(3-chlorophenyl)- 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: 68.0%

[4-Chloro-2-(3-chloro-phenylamino)-phenyl]-carbamic acid ethyl ester (79759-26-5) → 5-chloro-3-(3-chlorophenyl)-1,3-dihydro-2H-benzimidazol-2-one (79759-80-1)

Guidance literature:

With sodium ethanolate; In ethanol; for 3h; Heating;

Reference yield:

(5-chloro-2-nitro-phenyl)-(3-chloro-phenyl)-amine (28093-68-7) → 5-chloro-3-(3-chlorophenyl)-1,3-dihydro-2H-benzimidazol-2-one (79759-80-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 83 percent / 37 percent aq. HCl, zinc powder / ethanol / 1 h

2: 87 percent / CHCl₃ / 4 h / Heating

3: 68 percent / EtONa / ethanol / 3 h / Heating

With hydrogenchloride; sodium ethanolate; zinc; In ethanol; chloroform;

Reference yield:

1-Amino-4-chloro-2-[(3-chlorophenyl)amino]benzene (79759-10-7) → 5-chloro-3-(3-chlorophenyl)-1,3-dihydro-2H-benzimidazol-2-one (79759-80-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / CHCl₃ / 4 h / Heating

2: 68 percent / EtONa / ethanol / 3 h / Heating

With sodium ethanolate; In ethanol; chloroform;

upstream raw materials:

[4-Chloro-2-(3-chloro-phenylamino)-phenyl]-carbamic acid ethyl ester

(5-chloro-2-nitro-phenyl)-(3-chloro-phenyl)-amine

1-Amino-4-chloro-2-[(3-chlorophenyl)amino]benzene

Downstream raw materials:

5-Chloro-3-(3-chloro-phenyl)-1-methyl-1,3-dihydro-benzoimidazol-2-one

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