1-(1-Methyl-1H-imidazol-5-yl)ethanone

Base Information

• Chemical Name: 1-(1-Methyl-1H-imidazol-5-yl)ethanone
• CAS No.: 20970-50-7
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.1405
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID70568667
• Wikidata: Q82454988
• Mol file: 20970-50-7.mol

Synonyms:1-(1-Methyl-1H-imidazol-5-yl)ethanone;20970-50-7;5-acetyl-1-methylimidazole;1-(3-METHYLIMIDAZOL-4-YL)ETHANONE;Ethanone, 1-(1-methyl-1H-imidazol-5-yl)-;1-(1-Methyl-1H-imidazol-5-yl)ethan-1-one;MFCD08668302;SCHEMBL890196;DTXSID70568667;DARZKTBWZJGBSD-UHFFFAOYSA-N;1-(1-methyl-1H-imidazol-5-yl)ethanone-CAS# 20970-50-7;AKOS006227893;CS-W021191;DS-7143;SY035838;EN300-140714;W13364;A879324;Z1198180277

Chemical Property of 1-(1-Methyl-1H-imidazol-5-yl)ethanone

Chemical Property:

• Boiling Point: 288.46 °C at 760 mmHg
• Flash Point: 128.256 °C
• PSA: 34.89000
• Density: 1.114 g/cm³
• LogP: 0.62270
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

1-(1-Methyl-1H-imidazol-5-yl)ethanone 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CN=CN1C

Technology Process of 1-(1-Methyl-1H-imidazol-5-yl)ethanone

There total 3 articles about 1-(1-Methyl-1H-imidazol-5-yl)ethanone 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: 93.0%

1-methyl-1H-imidazole (616-47-7) + N,N-dimethyl acetamide (127-19-5,116057-81-9) → 1-(3-methyl-3H-imidazol-4-yl)-ethanone (20970-50-7)

Guidance literature:

1-methyl-1H-imidazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.666667h;

With chloro-trimethyl-silane; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

N,N-dimethyl acetamide; Further stages;

DOI:10.1021/acs.joc.1c01038

Reference yield: 74.0%

3-methyl-3H-imidazole-4-carboxylic acid methoxy(methyl)amide (592554-79-5) + methylmagnesium bromide (75-16-1) → 1-(3-methyl-3H-imidazol-4-yl)-ethanone (20970-50-7)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 0 - 40 ℃; for 4h;

Reference yield:

→ 1-(3-methyl-3H-imidazol-4-yl)-ethanone (20970-50-7)

Guidance literature:

1-Methyl-5-imidazolcarbonsaeurechlorid, Malonsaeurediethylester, NaH/THF;

upstream raw materials:

3-methyl-3H-imidazole-4-carboxylic acid methoxy(methyl)amide

methylmagnesium bromide

1-methyl-1H-imidazole

N,N-dimethyl acetamide

Downstream raw materials:

Isomacrorin

Refernces

• 1、 -. "Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration". Page/Page column 32. . Retrieved 2010/02/05.