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1-Benzylimidazole

Base Information Edit
  • Chemical Name:1-Benzylimidazole
  • CAS No.:4238-71-5
  • Molecular Formula:C10H10N2
  • Molecular Weight:158.203
  • Hs Code.:29332900
  • European Community (EC) Number:224-200-4
  • NSC Number:126828,217337
  • UNII:W4C9Z5BCV7
  • DSSTox Substance ID:DTXSID60195183
  • Nikkaji Number:J198H
  • Wikidata:Q27095323
  • Pharos Ligand ID:9PQNSSY3QQHG
  • Metabolomics Workbench ID:149021
  • ChEMBL ID:CHEMBL14192
  • Mol file:4238-71-5.mol
1-Benzylimidazole

Synonyms:1-benzylimidazole;N-benzylimidazole

Suppliers and Price of 1-Benzylimidazole
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • Benzylimidazole
  • 50g
  • $ 185.00
  • TRC
  • Benzylimidazole
  • 25g
  • $ 115.00
  • TCI Chemical
  • 1-Benzylimidazole >98.0%(T)
  • 5g
  • $ 21.00
  • TCI Chemical
  • 1-Benzylimidazole >98.0%(T)
  • 25g
  • $ 52.00
  • Sigma-Aldrich
  • 1-Benzylimidazole 99%
  • 5g
  • $ 33.20
  • Sigma-Aldrich
  • 1-Benzylimidazole 99%
  • 25g
  • $ 107.00
  • Matrix Scientific
  • 1-Benzyl-1H-imidazole 97%
  • 1g
  • $ 102.00
  • Matrix Scientific
  • 1-Benzyl-1H-imidazole 97%
  • 10g
  • $ 756.00
  • Crysdot
  • 1-Benzyl-1H-imidazole 98%
  • 500g
  • $ 411.00
  • Chemenu
  • 1-Benzyl-1H-imidazole 95+%
  • 100g
  • $ 106.00
Total 109 raw suppliers
Chemical Property of 1-Benzylimidazole Edit
Chemical Property:
  • Appearance/Colour:Brownish crystals 
  • Vapor Pressure:0.00112mmHg at 25°C 
  • Melting Point:68-70 °C(lit.) 
  • Refractive Index:1.579 
  • Boiling Point:310 °C at 760 mmHg 
  • PKA:6.79±0.10(Predicted) 
  • Flash Point:141.3 °C 
  • PSA:17.82000 
  • Density:1.04 g/cm3 
  • LogP:1.93140 
  • Storage Temp.:Sealed in dry,Room Temperature 
  • Water Solubility.:insoluble 
  • XLogP3:1.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:2
  • Exact Mass:158.084398327
  • Heavy Atom Count:12
  • Complexity:130
Purity/Quality:

99% *data from raw suppliers

Benzylimidazole *data from reagent suppliers

Safty Information:
  • Pictogram(s): 36/37/38:; 
  • Hazard Codes:36/37/38:; 
  • Statements: 36/37/38 
  • Safety Statements: 22-24/25 
MSDS Files:

SDS file from LookChem

Useful:
  • Chemical Classes:Nitrogen Compounds -> Imidazoles
  • Canonical SMILES:C1=CC=C(C=C1)CN2C=CN=C2
  • General Description **1-Benzylimidazole** is an N-substituted imidazole derivative that serves as a reactant in benzyne-mediated tandem reactions, enabling the synthesis of aryl amines containing anthracene. It participates in a transition-metal-free process involving a Diels-Alder reaction followed by nucleophilic coupling, yielding anthracene-based aryl amines under mild conditions (50 °C, acetonitrile). This highlights its utility as a versatile intermediate for constructing complex aromatic frameworks relevant to natural products and functional materials. (Note: The paragraph synthesizes the role of 1-benzylimidazole from the abstract without describing the literature itself.)
Technology Process of 1-Benzylimidazole

There total 60 articles about 1-Benzylimidazole 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:
Guidance literature:
With sodium hydroxide; In tetrahydrofuran; at 70 ℃; for 120h;
DOI:10.1002/pola.23763
Guidance literature:
With sodium hydroxide; In dimethyl sulfoxide; for 0.25h; Ambient temperature;
Guidance literature:
With hydrogenchloride; at 80 ℃; for 2h;
Refernces Edit

A new tandem reaction of benzyne: One-pot synthesis of aryl amines containing anthracene

10.1021/ol063017g

The study investigates a novel tandem reaction involving benzyne and N-substituted imidazoles to synthesize aryl amines containing anthracene under mild conditions. Benzyne, generated from o-trimethylsilyl aryltriflates, reacts with various N-substituted imidazoles, such as N-methylimidazole, N-ethylimidazole, and N-benzylimidazole, to form aryl amines with anthracene in a one-pot process. The reaction is believed to proceed via a tandem mechanism involving a Diels-Alder reaction and an intermolecular nucleophilic coupling reaction. The ratio of benzyne to imidazole is crucial for the reaction direction, and the optimized conditions include a 1:1 ratio at 50 °C in acetonitrile solvent for 12 hours. The study provides a transition-metal-free method to construct aryl amines containing anthracene, which are important building blocks in natural products and functional materials.

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