1,3-Dihydro-5-bromo-1-methyl-3-phenyl-2H-benzimidazol-2-one

Base Information

• Chemical Name: 1,3-Dihydro-5-bromo-1-methyl-3-phenyl-2H-benzimidazol-2-one
• CAS No.: 79759-43-6
• Molecular Formula: C14H11 Br N2 O
• Molecular Weight: 303.15
• DSSTox Substance ID: DTXSID501000707
• Wikidata: Q82994408
• Mol file: 79759-43-6.mol

Synonyms:79759-43-6;5-bromo-1-methyl-3-phenylbenzimidazol-2-one;1,3-Dihydro-5-bromo-1-methyl-3-phenyl-2H-benzimidazol-2-one;BRN 5554841;5-Bromo-1-methyl-3-phenyl-1,3-dihydro-2H-benzimidazol-2-one;2H-Benzimidazol-2-one, 1,3-dihydro-5-bromo-1-methyl-3-phenyl-;SCHEMBL15396392;DTXSID501000707;LS-33284

Chemical Property of 1,3-Dihydro-5-bromo-1-methyl-3-phenyl-2H-benzimidazol-2-one

Chemical Property:

• Vapor Pressure: 2.99E-07mmHg at 25°C
• Boiling Point: 419.7°C at 760 mmHg
• Flash Point: 207.6°C
• PSA: 26.93000
• Density: 1.534g/cm³
• LogP: 3.09170
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 302.00548
• Heavy Atom Count: 18
• Complexity: 330

Purity/Quality:

2H-BENZIMIDAZOL-2-ONE, 1,3-DIHYDRO-5-BROMO-1-METHYL-3-PHENYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)Br)N(C1=O)C3=CC=CC=C3

Technology Process of 1,3-Dihydro-5-bromo-1-methyl-3-phenyl-2H-benzimidazol-2-one

There total 5 articles about 1,3-Dihydro-5-bromo-1-methyl-3-phenyl-2H-benzimidazol-2-one 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: 96.0%

6-bromo-1-phenyl-1H-benzo[d]imidazol-2(3H)-one (79759-42-5) + dimethyl sulfate (77-78-1) → 5-bromo-1-methyl-3-phenyl-1,3-dihydro-benzoimidazol-2-one (79759-43-6)

Guidance literature:

With potassium carbonate; In methanol; at 50 - 55 ℃; for 12h;

Reference yield: 74.0%

N-(4-bromo-phenyl)-N-methyl-N'-phenyl-urea (100716-00-5) → 5-bromo-1-methyl-3-phenyl-1,3-dihydro-benzoimidazol-2-one (79759-43-6)

Guidance literature:

With [bis(acetoxy)iodo]benzene; caesium carbonate; at 25 ℃; for 12h; Schlenk technique; Sealed tube;

DOI:10.1002/ejoc.201500726

Reference yield: 61.0%

1-(4-bromo-2-iodophenyl)-1-methyl-3-phenylurea (1301144-74-0) → 5-bromo-1-methyl-3-phenyl-1,3-dihydro-benzoimidazol-2-one (79759-43-6)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 40 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol2008878

upstream raw materials:

6-bromo-1-phenyl-1H-benzo[d]imidazol-2(3H)-one

dimethyl sulfate

5-bromo-N¹-phenylbenzene-1,2-diamine

(4-Bromo-2-phenylamino-phenyl)-carbamic acid ethyl ester

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