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CAS 1000341-44-5

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2,4-Dimethyl 6-(1,1-dimethylethyl)-1H-indole-2,4-dicarboxylate

Description:
2,4-Dimethyl 6-(1,1-dimethylethyl)-1H-indole-2,4-dicarboxylate is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features two carboxylate ester groups, contributing to its potential reactivity and solubility in various solvents. The presence of dimethyl and tert-butyl substituents enhances its steric bulk, which may influence its biological activity and interactions with other molecules. The compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic groups, affecting its absorption and distribution in biological systems. Additionally, the indole moiety is known for its occurrence in many natural products and pharmaceuticals, suggesting potential applications in medicinal chemistry. As with many organic compounds, safety and handling precautions should be observed, as the specific toxicity and environmental impact of this compound would need to be assessed through further studies.
Formula:C16H19NO4
InChI:InChI=1S/C16H19NO4/c1-16(2,3)9-6-11(14(18)20-4)10-8-13(15(19)21-5)17-12(10)7-9/h6-8,17H,1-5H3
InChI key:InChIKey=BLAJUURYGRSNQA-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C2C(=CC(C(C)(C)C)=C1)NC(C(OC)=O)=C2
Synonyms:
  • 1H-Indole-2,4-dicarboxylic acid, 6-(1,1-dimethylethyl)-, 2,4-dimethyl ester
  • 2,4-Dimethyl 6-(1,1-dimethylethyl)-1H-indole-2,4-dicarboxylate
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