1-Benzylimidazole

Base Information

• 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

Synonyms:1-benzylimidazole;N-benzylimidazole

Chemical Property of 1-Benzylimidazole

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
• Uses: 1-Benzylimidazole acts as an inducer of various cytochrome P-450 isozymes and inhibitor of thromboxane A2 synthase. 1-Benzylimidazole has been used to prepare cyclodextrin-ionic liquid polymer (βCD-BIMOTs-TDI) Sodium thiosulfate pentahydrate may be involved in the estimation of iodide in pharmaceutical samples, using spectrophotometric method.

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:

Reference yield: 95.0%

1H-imidazole (288-32-4) + benzyl chloride (100-44-7) → 1-benzylimidazole (4238-71-5)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 70 ℃; for 120h;

DOI:10.1002/pola.23763

Reference yield: 95.0%

benzoimidazole (51-17-2,79351-71-6) + benzyl chloride (100-44-7) → 1-benzylimidazole (4238-71-5)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; for 0.25h; Ambient temperature;

Reference yield: 84.0%

1-benzyl-3-{[2-(trimethylsilyl)ethoxy]methyl}-1H-imidazolium bromide → 1-benzylimidazole (4238-71-5)

Guidance literature:

With hydrogenchloride; at 80 ℃; for 2h;

upstream raw materials:

1H-imidazole

benzyl chloride

1-benzyl-1H-imidazole-2-thione

benzyl bromide

Downstream raw materials:

1-(phenylmethyl)-1H-imidazole-2-carboxylic acid

1-benzyl-2-(hydroxymethyl)imidazole

1-benzyl-3-methyl-1H-imidazol-3-ium iodide

2-(1-benzyl-1H-imidazol-2-yl)-quinoline

Refernces

• 1、 Deyab, M. A.,Elewa, Safaa I.,Ismaeel, Hind M.,Nessim, M. I.. "Anti-corrosion properties of new imidazolium-based ionic liquids as a function of cation structure". . . Retrieved 2021/12/20.
• 2、 Banerjee, Kaustav,Bhattacherjee, Debojit,Mahato, Sulendar K.,Sufian, Abu,Bhabak, Krishna Pada. "Benzimidazole- And Imidazole-Fused Selenazolium and Selenazinium Selenocyanates: Ionic Organoselenium Compounds with Efficient Peroxide Scavenging Activities". . p. 12984 - 12999. Retrieved 2021/08/30.