2H-Benzimidazol-2-one, 1,3-dihydro-5-methoxy-1-methyl-3-phenyl-

Base Information

• Chemical Name: 2H-Benzimidazol-2-one, 1,3-dihydro-5-methoxy-1-methyl-3-phenyl-
• CAS No.: 79759-30-1
• Molecular Formula: C15H14N2O2
• Molecular Weight: 254.288
• DSSTox Substance ID: DTXSID20229857
• Nikkaji Number: J3.583.965H
• Wikidata: Q83110221

Synonyms:BRN 5566808;1-Methyl-3-phenyl-5-methoxybenzimidazolin-2-one;2H-Benzimidazol-2-one, 1,3-dihydro-5-methoxy-1-methyl-3-phenyl-;1,3-Dihydro-5-methoxy-1-methyl-3-phenyl-2H-benzimidazol-2-one;79759-30-1;DTXSID20229857;LS-33370;J3.583.965H;1-Methyl-5-methoxy-3-phenyl-1H-benzoimidazole-2(3H)-one

Chemical Property of 2H-Benzimidazol-2-one, 1,3-dihydro-5-methoxy-1-methyl-3-phenyl-

Chemical Property:

• Vapor Pressure: 5.18E-07mmHg at 25°C
• Boiling Point: 412.4°Cat760mmHg
• Flash Point: 203.2°C
• Density: 1.238g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 254.105527694
• Heavy Atom Count: 19
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2H-Benzimidazol-2-one, 1,3-dihydro-5-methoxy-1-methyl-3-phenyl-

There total 11 articles about 2H-Benzimidazol-2-one, 1,3-dihydro-5-methoxy-1-methyl-3-phenyl- 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: 94.0%

6-methoxy-1-phenyl-1,3-dihydro-benzoimidazol-2-one (19950-89-1) + methyl iodide (74-88-4) → 5-methoxy-1-methyl-3-phenyl-1,3-dihydro-2H-benzo[d]imidazol-2-one (79759-30-1)

Guidance literature:

With sodium hydroxide; In methanol; for 10h; Ambient temperature;

Reference yield: 56.0%

2-(trimethylsilyl)phenyl trifluoromethanesulfonate (88284-48-4) + 5-methoxy-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one (4583-86-2) → 5-methoxy-1-methyl-3-phenyl-1,3-dihydro-2H-benzo[d]imidazol-2-one (79759-30-1)

Guidance literature:

With cesium fluoride; In acetonitrile; at 90 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c7ob00040e

Reference yield: 47.0%

phenyl isocyanate (103-71-9) + N-methyl-N-(4-methoxyphenyl)amine (5961-59-1) → 5-methoxy-1-methyl-3-phenyl-1,3-dihydro-2H-benzo[d]imidazol-2-one (79759-30-1)

Guidance literature:

With palladium diacetate; silver carbonate; In 1,2-dichloro-ethane; at 120 ℃; for 8h;

DOI:10.1021/acs.orglett.6b03151

upstream raw materials:

6-methoxy-1-phenyl-1,3-dihydro-benzoimidazol-2-one

methyl iodide

4-methoxy-N²-phenylbenzene-1,2-diamine

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

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