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CAS 952182-27-3

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1-(1,1-Dimethylethyl) 3-methyl 1H-pyrrole-1,3-dicarboxylate

Description:
1-(1,1-Dimethylethyl) 3-methyl 1H-pyrrole-1,3-dicarboxylate is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features two carboxylate groups, which contribute to its reactivity and potential applications in organic synthesis. The presence of the tert-butyl group (1,1-dimethylethyl) and a methyl group enhances its steric properties and may influence its solubility and stability. The compound is likely to exhibit moderate polarity due to the carboxylate functionalities, making it soluble in polar solvents. Its unique structure may impart specific biological activities or reactivity patterns, making it of interest in medicinal chemistry or materials science. As with many pyrrole derivatives, it may participate in various chemical reactions, including electrophilic substitutions and cycloadditions. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure proper laboratory practices.
Formula:C11H15NO4
InChI:InChI=1S/C11H15NO4/c1-11(2,3)16-10(14)12-6-5-8(7-12)9(13)15-4/h5-7H,1-4H3
InChI key:InChIKey=CTHZHSWSRBKAAA-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=C(C(OC)=O)C=C1
Synonyms:
  • 1-(1,1-Dimethylethyl) 3-methyl 1H-pyrrole-1,3-dicarboxylate
  • 1H-Pyrrole-1,3-dicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester
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