2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(4-methoxyphenyl)-

Base Information

• Chemical Name: 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(4-methoxyphenyl)-
• CAS No.: 79759-69-6
• Molecular Formula: C14H11ClN2O2
• Molecular Weight: 274.707
• DSSTox Substance ID: DTXSID90229889
• Nikkaji Number: J3.583.108H
• Wikidata: Q83110261

Synonyms:79759-69-6;BRN 5566849;2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(4-methoxyphenyl)-;1,3-Dihydro-6-chloro-1-(4-methoxyphenyl)-2H-benzimidazol-2-one;6-Chloro-1-(4-methoxyphenyl)-1,3-dihydro-2H-benzo[d]imidazol-2-one;SCHEMBL4931135;DTXSID90229889;LS-33314;J3.583.108H;1-(4-Methoxyphenyl)-6-chloro-1H-benzoimidazole-2(3H)-one

Chemical Property of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(4-methoxyphenyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 47.28000
• Density: 1.358g/cm³
• LogP: 3.39310
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 274.0509053
• Heavy Atom Count: 19
• Complexity: 344

Purity/Quality:

2H-BENZIMIDAZOL-2-ONE, 6-CHLORO-1,3-DIHYDRO-1-(4-METHOXYPHENYL) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)NC2=O

Technology Process of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(4-methoxyphenyl)-

There total 8 articles about 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-(4-methoxyphenyl)- 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: 92.0%

carbon dioxide (124-38-9,18923-20-1) + C31H26ClN2OP → 6-chloro-1-(4-methoxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one (79759-69-6)

Guidance literature:

In N,N-dimethyl-formamide; at -65 - 20 ℃; for 48h; under 1500.15 Torr; Sealed tube;

DOI:10.1055/s-0035-1561301

Reference yield: 88.0%

→ 6-chloro-1-(4-methoxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one (79759-69-6)

Guidance literature:

Reference yield: 70.0%

[4-Chloro-2-(4-methoxy-phenylamino)-phenyl]-carbamic acid ethyl ester (79759-20-9) → 6-chloro-1-(4-methoxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one (79759-69-6)

Guidance literature:

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

upstream raw materials:

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

N-(5-chloro-2-nitrophenyl)-N-(4-methoxyphenyl)amine

4-Chloro-N₂-(4-methoxyphenyl)benzene-1,2-diamine

4-methoxy-aniline

Downstream raw materials:

5-Chloro-3-(4-methoxy-phenyl)-1-methyl-1,3-dihydro-benzoimidazol-2-one

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