1-Ethyl-2-(benzofuran-2-yl)imidazole hydrochloride

Base Information

• Chemical Name: 1-Ethyl-2-(benzofuran-2-yl)imidazole hydrochloride
• CAS No.: 150985-48-1
• Molecular Formula: C₁₃H₁₂N₂O*ClH
• Molecular Weight: 248.712
• DSSTox Substance ID: DTXSID20164673
• ChEMBL ID: CHEMBL4855194
• Mol file: 150985-48-1.mol

Synonyms:1-Ethyl-2-(benzofuran-2-yl)imidazole hydrochloride;150985-48-1;1H-Imidazole, 2-(2-benofuranyl)-1-ethyl-, monohydrochloride;2-(2-Benofuranyl)-1-ethyl-1H-imidazole monohydrochloride;CHEMBL4855194;2-(1-benzo[b]furan-2-yl)-1-ethyl-1H-imidazole hydrochloride;SCHEMBL9295108;DTXSID20164673;LKVNFGLGWXRMJE-UHFFFAOYSA-N;BDBM50572703;LS-78057

Chemical Property of 1-Ethyl-2-(benzofuran-2-yl)imidazole hydrochloride

Chemical Property:

• Vapor Pressure: 6.35E-06mmHg at 25°C
• Boiling Point: 378.3°Cat760mmHg
• Flash Point: 182.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 248.0716407
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=CN=C1C2=CC3=CC=CC=C3O2.Cl

Technology Process of 1-Ethyl-2-(benzofuran-2-yl)imidazole hydrochloride

There total 4 articles about 1-Ethyl-2-(benzofuran-2-yl)imidazole hydrochloride 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%

ethyl bromide (74-96-4) + 2-(2-benzofuranyl)-2-imidazoline hydrochloride (150985-44-7) → 1-ethyl-2-(benzofuran-2-yl)-1H-imidazole hydrochloride (150985-48-1)

Guidance literature:

2-(2-benzofuranyl)-2-imidazoline hydrochloride; With sodium hydroxide;

With sodium hydride; In N,N-dimethyl-d₆-formamide; mineral oil; at 20 ℃; for 0.5h;

ethyl bromide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 0.75h;

DOI:10.1016/j.ejmech.2021.113540

Reference yield:

methyl benzofuran-2-carbimididate hydrochloride → 1-ethyl-2-(benzofuran-2-yl)-1H-imidazole hydrochloride (150985-48-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: methanol / 16 h / 60 °C

2.1: hydrogenchloride / water / 16 h / 60 °C

3.1: sodium hydroxide

3.2: 0.5 h / 20 °C

3.3: 0.75 h / 0 - 20 °C

With hydrogenchloride; sodium hydroxide; In methanol; water;

DOI:10.1016/j.ejmech.2021.113540

Reference yield:

N-(2,2-dimethoxyethyl)benzofuran-2-carboximidamide → 1-ethyl-2-(benzofuran-2-yl)-1H-imidazole hydrochloride (150985-48-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / water / 16 h / 60 °C

2.1: sodium hydroxide

2.2: 0.5 h / 20 °C

2.3: 0.75 h / 0 - 20 °C

With hydrogenchloride; sodium hydroxide; In water;

DOI:10.1016/j.ejmech.2021.113540

upstream raw materials:

ethyl bromide

2-(2-benzofuranyl)-2-imidazoline hydrochloride

benzofuran-2-carbonitrile