1,4-Epoxy-1-methyl-4,5-dihydro-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole

Base Information

• Chemical Name: 1,4-Epoxy-1-methyl-4,5-dihydro-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole
• CAS No.: 56969-23-4
• Molecular Formula: C12H12N2O2
• Molecular Weight: 216.2359
• DSSTox Substance ID: DTXSID70972427
• Nikkaji Number: J77.236D

Synonyms:BRN 1122749;1,4-Epoxy-1-methyl-4,5-dihydro-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole;1,4-Epoxy-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1-methyl-;1H,3H-(1,4)Oxazepino(4,3-a)benzimidazole, 4,5-dihydro-1,4-epoxy-1-methyl-;56969-23-4;DTXSID70972427;LS-99897;1-Methyl-4,5-dihydro-1H,3H-1,4-epoxy[1,4]oxazepino[4,3-a]benzimidazole;4,5-Dihydro-1-methyl-1,4-epoxy-1H,3H-[1,4]oxazepino[4,3-a]benzimidazole

Chemical Property of 1,4-Epoxy-1-methyl-4,5-dihydro-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole

Chemical Property:

• Vapor Pressure: 7.91E-07mmHg at 25°C
• Boiling Point: 418.5°Cat760mmHg
• Flash Point: 206.9°C
• Density: 1.49g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12C3=NC4=CC=CC=C4N3CC(O1)CO2

Technology Process of 1,4-Epoxy-1-methyl-4,5-dihydro-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole

There total 2 articles about 1,4-Epoxy-1-methyl-4,5-dihydro-1H,3H-(1,4)oxazepino(4,3-a)benzimidazole 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:

2-acetylbenzimidazole (939-70-8) → C12H12N2O2 (56969-23-4)

Guidance literature:

With sodium ethanolate; Yield given. Multistep reaction; 1.) ethanol, reflux, 45 min; 2.) 4 h, reflux;

Reference yield:

→ C12H12N2O2 (56969-23-4)

Guidance literature:

NaOC2H5, entspr. 2-Benzimidazol, Epichlorhydrin;

upstream raw materials:

2-acetylbenzimidazole

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