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CAS 86770-31-2

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2-(1,1-Dimethylethyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Description:
2-(1,1-Dimethylethyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, with the CAS number 86770-31-2, is an organic compound characterized by its pyrrole structure, which is a five-membered aromatic ring containing nitrogen. This compound features multiple substituents, including ethyl and dimethyl groups, which contribute to its unique chemical properties. The presence of carboxylate groups indicates that it can participate in various chemical reactions, such as esterification and decarboxylation. Its bulky substituents may influence its solubility and reactivity, making it potentially useful in organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. Additionally, the compound's structure suggests it may exhibit interesting biological activities, although specific biological data would need to be referenced for detailed insights. Overall, this compound exemplifies the complexity and diversity of organic molecules, particularly those derived from heterocyclic chemistry.
Formula:C14H21NO4
InChI:InChI=1S/C14H21NO4/c1-7-18-12(16)10-8(2)11(15-9(10)3)13(17)19-14(4,5)6/h15H,7H2,1-6H3
InChI key:InChIKey=CJXJFSNESZDOGK-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C(C)=C(C(OC(C)(C)C)=O)NC1C
Synonyms:
  • 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-(1,1-dimethylethyl) 4-ethyl ester
  • 2-(1,1-Dimethylethyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
  • 2-tert-Butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
  • 2-tert-Butyloxycarbonyl-3,5-dimethyl-4-ethoxycarbonylpyrrole
  • 3,5-Dimethyl-1H-Pyrrole-2,4-Dicarboxylic Acid 2-Tert-Butyl Ester 4-Ethyl Ester
  • t-Butyl 3,5-dimethyl-4-ethoxycarbonylpyrrole-2-carboxylate
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