1-methyl-2-(thiophene-2-carbonyl)-1H-imidazole

Base Information

• Chemical Name: 1-methyl-2-(thiophene-2-carbonyl)-1H-imidazole
• CAS No.: 62366-48-7
• Molecular Formula: C9H8N2OS
• Molecular Weight: 192.241
• DSSTox Substance ID: DTXSID20404985
• Nikkaji Number: J2.281.998D
• Wikidata: Q82209355
• Mol file: 62366-48-7.mol

Synonyms:1-methyl-2-(thiophene-2-carbonyl)-1H-imidazole;62366-48-7;(1-methylimidazol-2-yl)-thiophen-2-ylmethanone;(1-methyl-1H-imidazol-2-yl)(thien-2-yl)methanone;Enamine_000136;HMS1394G04;DTXSID20404985;AKOS008965885;EN300-40521;1-methyl-2-[(thiophen-2-yl)carbonyl]-1H-imidazole;Z57965942

Chemical Property of 1-methyl-2-(thiophene-2-carbonyl)-1H-imidazole

Chemical Property:

• Melting Point: 65 °C
• Boiling Point: 368.0±34.0 °C(Predicted)
• PSA: 63.13000
• Density: 1.30±0.1 g/cm3(Predicted)
• LogP: 1.71260
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.03573406
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

1-methyl-2-(thiophene-2-carbonyl)-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CN=C1C(=O)C2=CC=CS2

Technology Process of 1-methyl-2-(thiophene-2-carbonyl)-1H-imidazole

There total 2 articles about 1-methyl-2-(thiophene-2-carbonyl)-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: 100.0%

2-(1-methylimidazolyl)-2-thienylmethanol → 2-(1-methylimidazolyl) 2-thienyl ketone (62366-48-7)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutyl-ammonium chloride; sodium carbonate; copper dichloride; 2,2′‐biquinoline‐4,4′‐dicarboxylic acid dipotassium salt; In water; at 40 ℃; for 24h;

DOI:10.1016/j.tetlet.2006.01.061

Reference yield:

1-methyl-1H-imidazole (616-47-7) + 2-Thiophenecarbonyl chloride (5271-67-0) → 2-(1-methylimidazolyl) 2-thienyl ketone (62366-48-7)

Guidance literature:

With triethylamine; In acetonitrile;

Reference yield: 73.0%

phenyllithium (591-51-5) + 2-(1-methylimidazolyl) 2-thienyl ketone (62366-48-7) → α-[2-(1-methylimidazolyl)]-α-2-thienylbenzyl alcohol

Guidance literature:

In tetrahydrofuran;

DOI:10.1080/00304949709355204

upstream raw materials:

1-methyl-1H-imidazole

2-Thiophenecarbonyl chloride

Downstream raw materials:

methyl 3-(4-methoxyphenyl)thiophene-2-carboxylate

Refernces

• 1、 Karthik, Shanmugam,Muthuvel, Karthick,Gandhi, Thirumanavelan. "Base-Promoted Amidation and Esterification of Imidazolium Salts via Acyl C-C bond Cleavage: Access to Aromatic Amides and Esters". supporting information. p. 738 - 751. Retrieved 2019/01/24.