2-(2-Benzofuranyl)-2-imidazoline

Base Information

• Chemical Name: 2-(2-Benzofuranyl)-2-imidazoline
• CAS No.: 72583-92-7
• Molecular Formula: C₁₁H₁₀N₂O
• Molecular Weight: 186.213
• UNII: UY7S3D3AJ3
• DSSTox Substance ID: DTXSID80222905
• Nikkaji Number: J743.973C
• Wikidata: Q27181198
• Pharos Ligand ID: MRQX94N6F3XH
• ChEMBL ID: CHEMBL404505
• Mol file: 72583-92-7.mol

Synonyms:(3H)2-BFI;2-(2-benzofuranyl)-2-imidazoline;2-BFI

Chemical Property of 2-(2-Benzofuranyl)-2-imidazoline

Chemical Property:

• PSA: 37.53000
• LogP: 1.54700
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 252

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)C2=CC3=CC=CC=C3O2

Technology Process of 2-(2-Benzofuranyl)-2-imidazoline

There total 4 articles about 2-(2-Benzofuranyl)-2-imidazoline 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:

C11H12N2O → 3H-2-(2-benzofuranyl)-2-imidazoline (72583-92-7)

Guidance literature:

With N-Bromosuccinimide; In water; at 65 - 70 ℃; for 0.25h; Ultrasound irradiation;

DOI:10.1016/j.bmcl.2008.03.001

Reference yield:

2-formylbenzo[b]furan (4265-16-1) → 3H-2-(2-benzofuranyl)-2-imidazoline (72583-92-7)

Guidance literature:

Multi-step reaction with 2 steps

1: water / 0.03 h / Ultrasound irradiation

2: N-Bromosuccinimide / water / 0.25 h / 65 - 70 °C / Ultrasound irradiation

With N-Bromosuccinimide; In water;

DOI:10.1016/j.bmcl.2008.03.001

Reference yield:

benzofuran-2-carbonitrile (41717-32-2) + ethylenediamine (107-15-3,85404-18-8) → 3H-2-(2-benzofuranyl)-2-imidazoline (72583-92-7)

Guidance literature:

With phosphorous (V) sulfide;

DOI:10.1055/s-2000-8237

upstream raw materials:

benzofuran-2-carboximidic acid methyl ester

ethylenediamine

benzofuran-2-carbonitrile

2-formylbenzo[b]furan