4-(3,5-Dimethoxyphenyl)-1H-imidazole-2-carboxylic acid methyl ester

Base Information

• Chemical Name: 4-(3,5-Dimethoxyphenyl)-1H-imidazole-2-carboxylic acid methyl ester
• CAS No.: 188199-81-7
• Molecular Formula: C₁₃H₁₄N₂O₄
• Molecular Weight: 262.265
• DSSTox Substance ID: DTXSID501198116
• Nikkaji Number: J1.107.376J

Synonyms:DTXSID501198116;methyl 5-(3,5-dimethoxyphenyl)-1H-imidazole-2-carboxylate;4-(3,5-Dimethoxyphenyl)-1H-imidazole-2-carboxylic acid methyl ester;188199-81-7

Chemical Property of 4-(3,5-Dimethoxyphenyl)-1H-imidazole-2-carboxylic acid methyl ester

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 262.09535693
• Heavy Atom Count: 19
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)C2=CN=C(N2)C(=O)OC)OC

Technology Process of 4-(3,5-Dimethoxyphenyl)-1H-imidazole-2-carboxylic acid methyl ester

There total 2 articles about 4-(3,5-Dimethoxyphenyl)-1H-imidazole-2-carboxylic acid methyl ester 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: 63.0%

methyl glyoxylate methyl hemi-acetal (109745-70-2,19757-97-2) + 3',5'-dimethoxyphenylglyoxal monohydrate (188199-78-2) → 2-carbomethoxy-4(5)-(3',5'-dimethoxyphenyl)imidazole (188199-81-7) + (3,5-dimethoxy-phenyl)-[4-(3,5-dimethoxy-phenyl)-1H-imidazol-2-yl]-methanone

Guidance literature:

With ammonium acetate; In acetonitrile; at 0 ℃; for 2h;

DOI:10.1021/jo981805g

Reference yield:

1-(3,5-dimethoxyphenyl)ethan-1-one (39151-19-4) → 2-carbomethoxy-4(5)-(3',5'-dimethoxyphenyl)imidazole (188199-81-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / aq. HBr / dimethylsulfoxide / 8 h / 60 - 68 °C

2: 63 percent / NH₄OAc / acetonitrile / 2 h / 0 °C

With ammonium acetate; hydrogen bromide; In dimethyl sulfoxide; acetonitrile;

DOI:10.1021/jo981805g

Reference yield: 82.0%

2,3-dihydro-2H-furan (1191-99-7,75454-45-4) + 2-carbomethoxy-4(5)-(3',5'-dimethoxyphenyl)imidazole (188199-81-7) → 1-(2'-tetrahydrofuranyl)-2-carbomethoxy-4(5)-(3'',5''-dimethoxyphenyl)imidazole (188199-83-9)

Guidance literature:

With toluene-4-sulfonic acid; In tetrahydrofuran; at 50 ℃; for 2h;

DOI:10.1021/jo981805g

upstream raw materials:

methyl glyoxylate methyl hemi-acetal

3',5'-dimethoxyphenylglyoxal monohydrate

1-(3,5-dimethoxyphenyl)ethan-1-one

Downstream raw materials:

1-(2'-tetrahydrofuranyl)-2-carbomethoxy-4⁽⁵⁾-(3'',5''-dimethoxyphenyl)imidazole

1-(2'-tetrahydropyranyl)-2-carbomethoxy-4⁽⁵⁾-(3'',5''-dimethoxyphenyl)imidazole

1-(2'-tetrahydrofuranyl)-2-hydroxymethyl-4⁽⁵⁾-(3'',5''-dimethoxyphenyl)imidazole

1-(2'-tetrahydropyranyl)-2-hydroxymethyl-4⁽⁵⁾-(3'',5''-dimethoxyphenyl)imidazole

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