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CAS 1564-49-4

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Ethyl 1-methyl-5-nitro-1H-imidazole-2-carboxylate

Description:
Ethyl 1-methyl-5-nitro-1H-imidazole-2-carboxylate, with the CAS number 1564-49-4, is a chemical compound characterized by its imidazole ring structure, which is a five-membered heterocyclic compound containing nitrogen atoms. This substance features a nitro group (-NO2) and an ethyl ester functional group, contributing to its reactivity and solubility properties. The presence of the methyl group at the 1-position and the nitro group at the 5-position of the imidazole ring influences its chemical behavior, making it a potential candidate for various applications in pharmaceuticals and agrochemicals. Typically, compounds like this exhibit moderate to high polarity due to the presence of both the nitro and carboxylate functionalities, which can affect their solubility in polar solvents. Additionally, the compound may participate in various chemical reactions, including nucleophilic substitutions and reductions, making it of interest in synthetic organic chemistry. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive to heat and shock.
Formula:C7H9N3O4
InChI:InChI=1S/C7H9N3O4/c1-3-14-7(11)6-8-4-5(9(6)2)10(12)13/h4H,3H2,1-2H3
InChI key:InChIKey=IFMBEWCVGFBHPO-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1N(C)C(N(=O)=O)=CN1
Synonyms:
  • 1H-Imidazole-2-carboxylic acid, 1-methyl-5-nitro-, ethyl ester
  • Ethyl 1-methyl-5-nitro-1H-imidazole-2-carboxylate
  • Imidazole-2-carboxylic acid, 1-methyl-5-nitro-, ethyl ester
  • Ethyl 1-methyl-5-nitroimidazole-2-carboxylate
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