1-(diethoxymethyl)-4,5-dimethyl-1H-imidazole

Base Information

• Chemical Name: 1-(diethoxymethyl)-4,5-dimethyl-1H-imidazole
• CAS No.: 74483-00-4
• Molecular Formula: C10H18N2O2
• Molecular Weight: 198.265
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID90505559
• Wikidata: Q82360767
• Mol file: 74483-00-4.mol

Synonyms:1-(diethoxymethyl)-4,5-dimethyl-1H-imidazole;74483-00-4;1-(diethoxymethyl)-4,5-dimethylimidazole;1H-Imidazole, 1-(diethoxymethyl)-4,5-dimethyl-;DTXSID90505559;AKOS015905659;AC-27131

Chemical Property of 1-(diethoxymethyl)-4,5-dimethyl-1H-imidazole

Chemical Property:

• PSA: 36.28000
• LogP: 2.02900
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 198.136827821
• Heavy Atom Count: 14
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(Diethoxymethyl)-4,5-dimethyl-1H-imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(N1C=NC(=C1C)C)OCC

Technology Process of 1-(diethoxymethyl)-4,5-dimethyl-1H-imidazole

There total 1 articles about 1-(diethoxymethyl)-4,5-dimethyl-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: 77.0%

4,5-dimethylimidazole (2302-39-8) + orthoformic acid triethyl ester (122-51-0) → 4,5-Dimethyl-1-(1,1-diethoxymethyl)imidazole (74483-00-4)

Guidance literature:

With toluene-4-sulfonic acid;

DOI:10.1021/jo01308a019

Reference yield:

4,5-Dimethyl-1-(1,1-diethoxymethyl)imidazole (74483-00-4) → 4,5-dimethyl-1H-imidazole-2-carbaldehyde (118474-44-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) n-BuLi / 1.) THF, hexane, -40 deg C, 30 min; 2.) room temp., overnight

2: H₂O / 0.5 h / pH 4

With n-butyllithium; water;

DOI:10.1021/ja00186a045

Reference yield:

4,5-Dimethyl-1-(1,1-diethoxymethyl)imidazole (74483-00-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4,5-dimethyl-1H-imidazole-2-carbaldehyde (118474-44-5)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction;

DOI:10.1021/jo01308a019

upstream raw materials:

4,5-dimethylimidazole

orthoformic acid triethyl ester

Downstream raw materials:

4,5-dimethyl-1H-imidazole-2-carbaldehyde

4,5-Dimethyl-2-(hydroxymethyl)imidazole