2-(2-ethoxyethyl)-1H-benzimidazole

Base Information

• Chemical Name: 2-(2-ethoxyethyl)-1H-benzimidazole
• CAS No.: 51036-80-7
• Molecular Formula: C11H14N2O
• Molecular Weight: 190.245
• Hs Code.: 2933990090
• NSC Number: 91912
• DSSTox Substance ID: DTXSID90293762
• Wikidata: Q82032694
• Mol file: 51036-80-7.mol

Synonyms:51036-80-7;2-(2-Ethoxyethyl)-1H-benzo[d]imidazole;2-(2-Ethoxy ethyl)benzimidazole;2-(2-ethoxyethyl)-1H-benzimidazole;NSC 91912;2-(2-ethoxyethyl)-1h-benzimidazol;NSC91912;DTXSID90293762;NSC-91912;AKOS011880372;2-(2-ethoxyethyl)-1H-1,3-benzodiazole;FT-0657447

Chemical Property of 2-(2-ethoxyethyl)-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 0.000361mmHg at 25°C
• Melting Point: 156.5-157 °C
• Refractive Index: 1.562
• Boiling Point: 379.8 °C at 760 mmHg
• PKA: 11.79±0.10(Predicted)
• Flash Point: 138.2 °C
• PSA: 37.91000
• Density: 1.137 g/cm³
• LogP: 2.14190
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Ethoxyethyl)-1H-benzo[d]imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCC1=NC2=CC=CC=C2N1

Technology Process of 2-(2-ethoxyethyl)-1H-benzimidazole

There total 1 articles about 2-(2-ethoxyethyl)-1H-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: 70.0%

ethyl 3-ethoxypropionate (763-69-9) + 1,2-diamino-benzene (95-54-5) → 2-(2-ethoxy-ethyl)-1H-benzimidazole (51036-80-7)

Guidance literature:

With lithium bromide; at 110 - 115 ℃; for 10h; Neat (no solvent);

DOI:10.1016/j.cclet.2009.11.034

Reference yield:

2-(2-ethoxy-ethyl)-1H-benzimidazole (51036-80-7) → 2-(2-chloroethyl)-1H-benzo[d]imidazole (405173-97-9)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01174a024

Reference yield:

2-(2-ethoxy-ethyl)-1H-benzimidazole (51036-80-7) → 2-(2-bromoethyl)-1H-benzo[d]imidazole (4078-54-0)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01174a024

upstream raw materials:

ethyl 3-ethoxypropionate

1,2-diamino-benzene

Downstream raw materials:

2-(2-bromoethyl)-1H-benzo[d]imidazole

2-(2-chloroethyl)-1H-benzo[d]imidazole

Refernces