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CAS 1438020-52-0

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2-Methyl 4-(phenylmethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Description:
2-Methyl 4-(phenylmethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is a complex organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features multiple substituents, including methyl groups and a phenylmethyl group, which contribute to its chemical reactivity and physical properties. The presence of two carboxylate ester functionalities indicates that it can participate in various chemical reactions, such as esterification and hydrolysis. The molecular structure suggests potential applications in organic synthesis, pharmaceuticals, or as intermediates in chemical manufacturing. Additionally, the compound's solubility, stability, and reactivity can be influenced by the steric and electronic effects of the substituents. As with many organic compounds, safety and handling precautions should be observed, as the specific toxicity and environmental impact would depend on its chemical behavior and interactions. Further studies would be necessary to fully elucidate its properties and potential applications in various fields.
Formula:C16H17NO4
InChI:InChI=1S/C16H17NO4/c1-10-13(11(2)17-14(10)16(19)20-3)15(18)21-9-12-7-5-4-6-8-12/h4-8,17H,9H2,1-3H3
InChI key:InChIKey=YNLNRZQEUCCPOH-UHFFFAOYSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)C=2C(C)=C(C(OC)=O)NC2C
Synonyms:
  • 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-methyl 4-(phenylmethyl) ester
  • 2-Methyl 4-(phenylmethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
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