1-(1-Methyl-1H-imidazol-2-YL)ethanone

Base Information

• Chemical Name: 1-(1-Methyl-1H-imidazol-2-YL)ethanone
• CAS No.: 85692-37-1
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.142
• Hs Code.: 2933290090
• European Community (EC) Number: 963-327-6
• DSSTox Substance ID: DTXSID60559089
• Nikkaji Number: J902.214G
• Wikidata: Q72491617
• Mol file: 85692-37-1.mol

Synonyms:85692-37-1;1-(1-METHYL-1H-IMIDAZOL-2-YL)ETHANONE;1-(1-methylimidazol-2-yl)ethanone;1-(1-METHYL-1H-IMIDAZOL-2-YL)ETHAN-1-ONE;2-ACETYL-1-METHYLIMIDAZOLE;Ethanone, 1-(1-methyl-1H-imidazol-2-yl)-;SCHEMBL405925;DTXSID60559089;IZVOHCMELOUFRA-UHFFFAOYSA-N;MFCD08668178;AKOS005173472;CS-W005322;PB12530;AM101361;DS-14599;EN300-77828;1-(1-METHYL-1H-IMIDAZOL-2-YL)-ETHANONE;A841413;Z277141058;Methyl6-bromo-2-oxo-2,3,4,8-tetrahydro-1,8-naphthyridine-3-carboxylate

Chemical Property of 1-(1-Methyl-1H-imidazol-2-YL)ethanone

Chemical Property:

• Boiling Point: 105oC (15 Torr)
• PKA: 3.92±0.25(Predicted)
• PSA: 34.89000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 0.62270
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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:

97% ^*data from raw suppliers

1-(1-Methyl-1H-imidazol-2-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=NC=CN1C
• Uses: 1-(1-Methyl-1H-imidazol-2-yl)ethanone can be used for extensive ligand screening and mechanistic studies.

Technology Process of 1-(1-Methyl-1H-imidazol-2-YL)ethanone

There total 1 articles about 1-(1-Methyl-1H-imidazol-2-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: 26.0%

1-(1H-imidazol-2-yl)ethanone (53981-69-4) + methyl iodide (74-88-4) → 1-(1-methyl-1H-imidazol-2-yl)ethan-1-one (85692-37-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; Inert atmosphere;

Reference yield: 98.0%

nitrostyrene (5153-67-3) + 1-(1-methyl-1H-imidazol-2-yl)ethan-1-one (85692-37-1) → (R)-1-(1-methyl-1H-imidazol-2-yl)-4-nitro-3-phenylbutan-1-one

Guidance literature:

With C₅₄H₄₂F₁₂N₄O₂Rh⁽¹⁺⁾*F₆P^(1-); In tert-butyl alcohol; at 20 ℃; for 24h; Reagent/catalyst; Solvent; enantioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201701377

Reference yield: 98.0%

1-(1-methyl-1H-imidazol-2-yl)ethan-1-one (85692-37-1) + 3-methoxy-benzaldehyde (591-31-1) → (E)-3-(3-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)prop-2-en-1-one

Guidance literature:

With potassium hydroxide; In ethanol; at 20 ℃; Inert atmosphere;

DOI:10.1002/chem.202000516

upstream raw materials:

1-(1H-imidazol-2-yl)ethanone

methyl iodide

Downstream raw materials:

2-(1-methylethenyl)-1-methylimidazole

2-<3-(4-methylphenyl)acryloyl>-1-methyl-1H-imidazole

6-Methyl-2-(1-methyl-1H-imidazol-2-yl)-quinoline-4-carboxylic acid

2-(1-methyl-2-imidazolyl)quinoline-4-carboxylic acid