95633-74-2

Basic information

• Product Name: 2-N-HEPTANOYL-1-METHYLIMIDAZOLE
• Synonyms: 2-N-HEPTANOYL-1-METHYLIMIDAZOLE
• CAS NO: 95633-74-2
• Molecular Formula: C₁₁H₁₈N₂O
• Molecular Weight: 194.27342
• Mol File: 95633-74-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 315.9°C at 760 mmHg
• Flash Point: 144.9°C
• Appearance: /
• Density: 1.01g/cm³
• Vapor Pressure: 0.000424mmHg at 25°C
• Refractive Index: 1.517
• CAS DataBase Reference: 2-N-HEPTANOYL-1-METHYLIMIDAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-N-HEPTANOYL-1-METHYLIMIDAZOLE(95633-74-2)
• EPA Substance Registry System: 2-N-HEPTANOYL-1-METHYLIMIDAZOLE(95633-74-2)

Safety Data

• Hazardous Substances Data: 95633-74-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H18N2O/c1-3-4-5-6-7-10(14)11-12-8-9-13(11)2/h8-9H,3-7H2,1-2H3

Upstream product

• 2528-61-2 Heptanoic acid chloride 
• 111-14-8 oenanthic acid 
• 93031-44-8 2-(1-hydroxyheptyl)-1-methyl-1H-imidazole 
• 616-47-7 1-methyl-1H-imidazole 
• 70974-42-4 1-(pyrrolidin-1-yl)heptan-1-one 
• 106-73-0 methyl heptanoate 

Downstream Products

• 111-14-8 oenanthic acid 
• 95633-78-6 n-propyl cyclohexanecarboxamide 
• 10035-86-6 S-ethyl cyclohexanecarbothioate 
• 66696-93-3 benzyl 3-ketononanoate 

Relevant articles and documents

PREPARATION OF SYNTHETICALLY USEFUL 2-ACYL-1H-IMIDAZOLES BY AN AUTOOXIDATION OF 1H-IMIDAZOLYL-2-METHANOL DERIVATIVES

1-Methyl-1H-imidazolyl-2-methanol derivatives (4) were autooxidized in a reaction medium consisting of air, sodium hydride, pyrazole and tetrahydrofuran to give the corresponding 2-acyl-1-methyl-1H-imidazoles (1) in good yields.

SYNTHESIS OF 2-ACYL-1-METHYL-1H-IMIDAZOLES AND REACTIVITY OF THE ACYL GROUP

2-Alkanoyl- and 2-aroyl-1-methyl-1H-imidazoles (3) were prepared in good yields by treating 1-acylpyrrolidine (1) with 2-lithio-1-methyl-1H-imidazole (2) at -78 deg C.Although 2-benzoyl-1-methyl-1H-imidazole (3a) was stable under n-Pr-NH2/80 deg C/10 h; 2percent K2CO3/aq.CH3OH/80 deg C/10 h; 20percent H2SO4/80 deg C/10 h; CF3COOH/r.t./17 h, it was hydrolysed into benzoic acid and 1-methyl-1H-imidazole by heating in 1.3 N-NaOH - aq. ethanol at 80 deg C for 30 h.The acyl group of 3 was activated by conversion to the corresponding imidazolium salt (4), which could react with various nucleophiles.