1-o-Tolyl-1H-imidazole

Base Information

• Chemical Name: 1-o-Tolyl-1H-imidazole
• CAS No.: 25371-93-1
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID60598675
• Nikkaji Number: J1.320.266D
• Wikidata: Q82494456
• Mol file: 25371-93-1.mol

Synonyms:1-o-Tolyl-1H-imidazole;25371-93-1;1-(2-Methylphenyl)imidazole;1-(o-Tolyl)-1H-imidazole;1-(2-methylphenyl)-1H-imidazole;SCHEMBL872215;DTXSID60598675;AKOS006289857;DA-43028

Chemical Property of 1-o-Tolyl-1H-imidazole

Chemical Property:

• Vapor Pressure: 0.00275mmHg at 25°C
• Melting Point: 65-68 °C
• Refractive Index: 1.581
• Boiling Point: 295 °C at 760 mmHg
• PKA: 5.53±0.10(Predicted)
• Flash Point: 132.2 °C
• PSA: 17.82000
• Density: 1.04 g/cm³
• LogP: 2.18070
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C=CN=C2

Technology Process of 1-o-Tolyl-1H-imidazole

There total 10 articles about 1-o-Tolyl-1H-imidazole 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: 98.0%

1H-imidazole (288-32-4) + 2-Methylphenylboronic acid (16419-60-6) → 1-o-tolyl-1H-imidazole (25371-93-1)

Guidance literature:

With air; copper(l) chloride; In methanol; for 3h; Heating;

DOI:10.1039/b307734a

Reference yield: 95.0%

1H-imidazole (288-32-4) + ortho-methylphenyl iodide (615-37-2) → 1-o-tolyl-1H-imidazole (25371-93-1)

Guidance literature:

With copper(l) iodide; 2-(2-benzoylhydrazine-1-carbonyl)-1-benzylpyrrolidine 1-oxide; caesium carbonate; In ethanol; at 80 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tet.2020.131826

Reference yield: 95.0%

1H-imidazole (288-32-4) + 2-methylphenyl bromide (95-46-5) → 1-o-tolyl-1H-imidazole (25371-93-1)

Guidance literature:

With copper(l) iodide; potassium carbonate; heptakis(6-amino-6-deoxy)-β-cyclodextrin; In dimethyl sulfoxide; at 110 ℃; for 24h; Sealed tube;

DOI:10.1021/jo801811w

upstream raw materials:

1H-imidazole

2-Methylphenylboronic acid

ortho-methylphenyl iodide

2-methylphenyl bromide

Refernces

• 1、 Ding, Zhiqiang,Nie, Nan,Chen, Tian,Meng, Lingxin,Wang, Gongshu,Chen, Zhangpei,Hu, Jianshe. "L-Proline N-oxide dihydrazides as an efficient ligand for cross-coupling reactions of aryl iodides and bromides with amines and phenols". supporting information. . Retrieved 2020/12/21.
• 2、 Lerch, Swantje,Strassner, Thomas. "Synthesis and Physical Properties of Tunable Aryl Alkyl Ionic Liquids (TAAILs)". supporting information. p. 15554 - 15557. Retrieved 2021/10/06.