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CAS 89128-09-6

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Phenylmethyl 2-methyl-4-nitro-1H-imidazole-1-carboxylate

Description:
Phenylmethyl 2-methyl-4-nitro-1H-imidazole-1-carboxylate, with the CAS number 89128-09-6, is a chemical compound characterized by its imidazole ring, which is a five-membered heterocyclic structure containing nitrogen atoms. This compound features a nitro group (-NO2) at the 4-position and a carboxylate ester functional group, contributing to its reactivity and potential applications in organic synthesis. The presence of the phenylmethyl group enhances its lipophilicity, which may influence its solubility and biological activity. The nitro group can serve as a site for further chemical modifications, making it a versatile intermediate in the synthesis of pharmaceuticals or agrochemicals. Additionally, the imidazole moiety is known for its biological significance, often found in various natural products and pharmaceuticals, suggesting potential pharmacological properties. Overall, this compound's unique structural features and functional groups make it of interest in both synthetic chemistry and medicinal chemistry research.
Formula:C12H11N3O4
InChI:InChI=1S/C12H11N3O4/c1-9-13-11(15(17)18)7-14(9)12(16)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChI key:InChIKey=LDARYHUAYIOYFD-UHFFFAOYSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)N2C=C(N(=O)=O)N=C2C
Synonyms:
  • Phenylmethyl 2-methyl-4-nitro-1H-imidazole-1-carboxylate
  • 1H-Imidazole-1-carboxylic acid, 2-methyl-4-nitro-, phenylmethyl ester
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