1016-40-6

Basic information

• Product Name: 2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl ester
• Synonyms: 2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl ester;E90110;Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate;ethyl 2-(2-methyl-5-nitro-1H-imidazole-1-yl)acetate
• CAS NO: 1016-40-6
• Molecular Formula: C₈H₁₁N₃O₄
• Molecular Weight: 213.19
• Mol File: 1016-40-6.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 387.3°C at 760 mmHg
• Flash Point: 188°C
• Appearance: /
• Density: 1.36g/cm³
• Vapor Pressure: 3.33E-06mmHg at 25°C
• Refractive Index: 1.573
• CAS DataBase Reference: 2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl ester(1016-40-6)
• EPA Substance Registry System: 2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl ester(1016-40-6)

Safety Data

• Hazardous Substances Data: 1016-40-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H11N3O4/c1-3-15-8(12)5-10-6(2)9-4-7(10)11(13)14/h4H,3,5H2,1-2H3

Upstream product

• 696-23-1 2-methyl-5-nitro-1H-imidazole 
• 105-36-2 ethyl bromoacetate 
• 105-39-5 chloroacetic acid ethyl ester 
• 696-23-1 2-methyl-4-nitro-1H-imidazole 
• 64-17-5 ethanol 
• 1010-93-1 2-methyl-5-nitroimidazole-1-acetic acid 

Downstream Products

• 1010-93-1 2-methyl-5-nitroimidazole-1-acetic acid 
• 1436413-78-3 N'-[(1E)-(4-chlorophenyl)methylene]-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetohydrazide 
• 1594987-05-9 (E)-N'-((2-(4-chlorophenoxy)-6-methylquinolin-3-yl)methylene)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetohydrazide 
• 1594987-00-4 (E)-N'-((2-(4-fluorophenoxy)-6-methylquinolin-3-yl)methylene)-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetohydrazide 

Relevant articles and documents

A facile synthesis of the major urinary metabolite of metronidazole

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Design, synthesis, and antibacterial evaluation of new Schiff's base derivatives bearing nitroimidazole and pyrazole nuclei as potent E. coli FabH inhibitors

New Schiff's base derivatives 5a-j have been synthesized by reaction between 5-aryloxypyrazole-4-carbaldehydes 3a-j and 2-(2-methyl-5-nitro-1Himidazol- 1-yl)acetohydrazide 4 in the presence of nickel (II) nitrate as a catalyst in ethanol at room temperatu

Nitroimidazolyl hydrazones are better amoebicides than their cyclized 1,3,4-oxadiazoline analogues: In vitro studies and Lipophilic efficiency analysis

Two series of compounds with hydrazone derivatives (HZ1-HZl2, series 1) and oxadiazoline derivatives (OZ1-OZ12, series 2) of the 2-methyl-5-nitro-1H- imidazole scaffold were designed and synthesized. Physicochemical properties and Lipophilic efficiency (LipE) analysis predicted higher intrinsic quality of the acylhydrazone derivatives (series 1) than their corresponding oxadiazoline analogues (series 2). In vitro antiamoebic results supported the above findings and validated that the acylhydrazone derivatives (HZ1-HZl2) show better activity than the oxadiazoline derivatives (OZ1-OZ12). MTT assay, using HepG2 cell line, revealed noncytotoxic nature of the compounds. The most promising results were observed for compounds HZ5 (IC50 = 0.96 μM) and HZ9 (IC 50 = 0.81 μM) both in silico and in vitro. Analysis of the Lipophilic efficiency (LipE) of the compounds provided new insight for the design of potent and selective amoebicides.