5-Acetyl-1,2-dimethylimidazole

Base Information

• Chemical Name: 5-Acetyl-1,2-dimethylimidazole
• CAS No.: 103747-88-2
• Molecular Formula: C₇H₁₀N₂O
• Molecular Weight: 138.169
• DSSTox Substance ID: DTXSID00541903
• Wikidata: Q82418372
• Mol file: 103747-88-2.mol

Synonyms:103747-88-2;5-acetyl-1,2-dimethylimidazole;1-(2,3-DIMETHYLIMIDAZOL-4-YL)ETHANONE;1-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)ETHANONE;1-(2,3-DIMETHYL-3H-IMIDAZOL-4-YL)-ETHANONE;SCHEMBL1204351;DTXSID00541903;AKOS006227894;AB45828;1-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)ETHAN-1-ONE

Chemical Property of 5-Acetyl-1,2-dimethylimidazole

Chemical Property:

• Melting Point: 79-82 °C
• Boiling Point: 286.1±13.0 °C(Predicted)
• PKA: 4.75±0.25(Predicted)
• PSA: 34.89000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 0.93110
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.079312947
• Heavy Atom Count: 10
• Complexity: 147

Purity/Quality:

98%min ^*data from raw suppliers

5-ACETYL-1,2-DIMETHYLIMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1C)C(=O)C

Technology Process of 5-Acetyl-1,2-dimethylimidazole

There total 9 articles about 5-Acetyl-1,2-dimethylimidazole 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:

N-methyl-N-(5-methyl-4-isoxazolyl)acetamide (103747-82-6) → 5-acetyl-1,2-dimethylimidazole (103747-88-2)

Guidance literature:

With sodium hydroxide; hydrogen; Multistep reaction; 1.) palladium on carbon, EtOH, 1 h, room temp. 2.) reflux, 1 h;

DOI:10.1016/S0040-4039(00)98654-4

Reference yield:

N-(5-methyl-4-isoxazolyl)acetamide (100499-63-6) → 5-acetyl-1,2-dimethylimidazole (103747-88-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 98 percent / H₂ / 10percent Pd on C / methanol / 1 h / 2327.2 Torr / Ambient temperature

2: NaOH / ethanol / 1 h / Heating

3: 71 percent / TEA / CHCl₃ / 4.5 h

4: 2.) H₂O / 1.) CH₂Cl₂, RT, 44 h

With sodium hydroxide; TEA; water; hydrogen; palladium on activated charcoal; In methanol; ethanol; chloroform;

DOI:10.1021/jo00389a015

Reference yield:

Methyl-(5-methyl-isoxazol-4-yl)-amine; hydrochloride → 5-acetyl-1,2-dimethylimidazole (103747-88-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 83 percent / sodium acetate / acetic acid / 2 h / Ambient temperature

2: H₂ / 10percent Pd on C / ethanol / 2068.6 Torr

3: NaOH / ethanol / 1 h / Heating

With sodium hydroxide; hydrogen; sodium acetate; palladium on activated charcoal; In ethanol; acetic acid;

DOI:10.1021/jo00389a015

upstream raw materials:

N-methyl-N-(5-methyl-4-isoxazolyl)acetamide

4⁽⁵⁾-acetyl-2-methyl-1H-imidazole

1,4-diacetyl-2-methylimidazole

N-(5-methyl-4-isoxazolyl)acetamide