1-(1H-Imidazol-4-yl)-ethanone HCl

Base Information

• Chemical Name: 1-(1H-Imidazol-4-yl)-ethanone HCl
• CAS No.: 61985-25-9
• Molecular Formula: C5H6N2O
• Molecular Weight: 110.115
• Hs Code.: 2933290090
• Mol file: 61985-25-9.mol

Synonyms:4-Acetylimidazole;1-(1H-Imidazol-4-yl)- (9CI);

Chemical Property of 1-(1H-Imidazol-4-yl)-ethanone HCl

Chemical Property:

• Melting Point: 169-170℃
• Boiling Point: 329.422 °C at 760 mmHg
• PKA: 11.34±0.10(Predicted)
• Flash Point: 157.382 °C
• PSA: 45.75000
• Density: 1.19 g/cm³
• LogP: 1.41430
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

1-(1H-imidazol-4-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-(1H-imidazol-4-yl)ethanon is a photochemical compound isolated from the essential oil of Mirabilis Jalapa root.

Technology Process of 1-(1H-Imidazol-4-yl)-ethanone HCl

There total 8 articles about 1-(1H-Imidazol-4-yl)-ethanone HCl 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: 53.0%

methylmagnesium bromide (75-16-1) + 1H-imidazole-4-carbonitrile (57090-88-7) → 1-(1H-imidazol-4-yl)ethan-1-one (61985-25-9)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113733

Reference yield:

N-Acetylimidazole (2466-76-4) → 1-(1H-imidazol-2-yl)ethanone (53981-69-4) + 1-(1H-imidazol-4-yl)ethan-1-one (61985-25-9)

Guidance literature:

at 706.9 ℃; Product distribution; under flash-vacuum pyrolytic conditions; other temperatures; other substrate: 1-propionylimidazole;

Reference yield:

(E)-3-(1H-imidazol-4-yl)propenoic acid (3465-72-3) → 1-(1H-imidazol-5-yl)ethan-1-one (61985-25-9,196413-17-9)

Guidance literature:

With iron(II) chloride; In ethanol; at 80 ℃; for 23h;

DOI:10.1039/d1cc01536b

upstream raw materials:

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

(E)-3-(1H-imidazol-4-yl)propenoic acid

N-Acetylimidazole

methylmagnesium bromide

Downstream raw materials:

2-(3-bromo-2-methylphenyl)-4,4-dimethyl-2-oxazoline

1-(3-benzyl-3H-imidazol-4-yl)ethanone

methyl 2-methyl-3-(1'-methyl-1'-(5''-imidazolyl)methyl)benzoate

2-{3-[1-(3H-Imidazol-4-yl)-ethyl]-2-methyl-phenyl}-5,5-dimethyl-4,5-dihydro-oxazole

Refernces

• 1、 Belluti, Federica,Bisi, Alessandra,Caciolla, Jessica,Fimognari, Carmela,Gobbi, Silvia,Magistrato, Alessandra,Martini, Silvia,Pavlin, Matic,Rampa, Angela,Simonelli, Federica,Spinello, Angelo,Turrini, Eleonora,Zaffaroni, Nadia. "Balanced dual acting compounds targeting aromatase and estrogen receptor α as an emerging therapeutic opportunity to counteract estrogen responsive breast cancer". supporting information. . Retrieved 2021/08/09.
• 2、 Reiter, Lawrence A.. "Synthesis of 4(5)-Acyl-, 1-Substituted 5-Acyl, and 1-Substituted 4-Acyl-1H-imidazoles from 4-Aminoisoxazoles". . p. 2714 - 2726. Retrieved 2007/10/02.