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CAS 220499-12-7

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1,1-Dimethylethyl 4-(hydroxymethyl)-1H-indole-1-carboxylate

Description:
1,1-Dimethylethyl 4-(hydroxymethyl)-1H-indole-1-carboxylate, identified by its CAS number 220499-12-7, is a chemical compound that features an indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound is characterized by the presence of a carboxylate group and a hydroxymethyl substituent, which contribute to its reactivity and potential biological activity. The tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. The indole moiety is known for its occurrence in various natural products and pharmaceuticals, often exhibiting significant pharmacological properties. The compound may be of interest in medicinal chemistry and drug development due to its structural features, which could interact with biological targets. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its properties would be assessed through various analytical methods to determine purity, stability, and potential applications.
Formula:C14H17NO3
InChI:InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-8-7-11-10(9-16)5-4-6-12(11)15/h4-8,16H,9H2,1-3H3
InChI key:InChIKey=XHSQCCTUAQIQMS-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(=C(CO)C=CC2)C=C1
Synonyms:
  • 4-[Hydroxymethyl]indole-1-carboxylic acid tert-butyl ester
  • 1H-Indole-1-carboxylic acid, 4-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate
  • 1,1-Dimethylethyl 4-(hydroxymethyl)-1H-indole-1-carboxylate
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