ethyl 1-benzyl-5-methyl-1H-imidazole-4-carboxylate

Base Information

• Chemical Name: ethyl 1-benzyl-5-methyl-1H-imidazole-4-carboxylate
• CAS No.: 75815-53-1
• Molecular Formula: C14H16N2O2
• Molecular Weight: 244.293
• DSSTox Substance ID: DTXSID70551958
• Wikidata: Q82431885

Synonyms:75815-53-1;ethyl 1-benzyl-5-methyl-1H-imidazole-4-carboxylate;SCHEMBL4958152;DTXSID70551958;HJQQYURRTLCPPP-UHFFFAOYSA-N;G61993;ethyl N-benzyl-5-methyl-1H-imidazole-4-carboxylate;1-Benzyl-5-methyl-1H-imidazole-4-carboxylic acid ethyl ester

Chemical Property of ethyl 1-benzyl-5-methyl-1H-imidazole-4-carboxylate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 244.121177757
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N(C=N1)CC2=CC=CC=C2)C

Technology Process of ethyl 1-benzyl-5-methyl-1H-imidazole-4-carboxylate

There total 3 articles about ethyl 1-benzyl-5-methyl-1H-imidazole-4-carboxylate 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: 47.0%

benzyl bromide (100-39-0) → 3-benzyl-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester + 5-methyl-1-(phenylmethyl)-1H-imidazole-4-carboxylic acid ethyl ester (75815-53-1)

Guidance literature:

ethyl 4⁽⁵⁾-methylimidazole-5⁽⁴⁾-carboxylate; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

benzyl bromide; In tetrahydrofuran; at 20 ℃; for 16h;

Reference yield:

benzyl bromide (100-39-0) + ethyl 4(5)-methylimidazole-5(4)-carboxylate (51605-32-4) → 3-benzyl-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester + 5-methyl-1-(phenylmethyl)-1H-imidazole-4-carboxylic acid ethyl ester (75815-53-1)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In toluene; at 20 ℃; for 2h;

DOI:10.1248/cpb.54.706

Reference yield:

benzyl bromide (100-39-0) + Ethyl 5-Methyl-4-imidazolecarboxylate (51605-32-4) → 5-methyl-1-(phenylmethyl)-1H-imidazole-4-carboxylic acid ethyl ester (75815-53-1)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) THF, RT, 2 h, 2.) THF, RT, overnight;

DOI:10.1021/jo00228a042

upstream raw materials:

benzyl bromide

Ethyl 5-Methyl-4-imidazolecarboxylate

ethyl 4⁽⁵⁾-methylimidazole-5⁽⁴⁾-carboxylate

Downstream raw materials:

5-methyl-1-(phenylmethyl)-1H-imidazole-4-methanol

5-methyl-1-(phenylmethyl)-1H-imidazole-4-carboxamide

1-methyl-6-phenylimidazo<1,5-a>pyrazin-8(7H)-one

5,6-dihydro-1-methyl-6-phenylimidazo<1,5-a>pyrazin-8(7H)-one

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