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CAS 937602-51-2

:

1-(1,1-Dimethylethyl) 2-ethyl 5-bromo-1H-indole-1,2-dicarboxylate

Description:
1-(1,1-Dimethylethyl) 2-ethyl 5-bromo-1H-indole-1,2-dicarboxylate, with the CAS number 937602-51-2, is a chemical compound that belongs to the indole family, characterized by its complex structure featuring an indole ring system. This compound contains multiple functional groups, including ester groups due to the dicarboxylate moiety, which can influence its reactivity and solubility. The presence of a bromine atom introduces halogen characteristics, potentially affecting its biological activity and interaction with other molecules. The tert-butyl and ethyl substituents contribute to its steric bulk, which may impact its conformational flexibility and overall stability. This compound is likely to be of interest in medicinal chemistry and material science due to its unique structural features, which may confer specific properties such as fluorescence or biological activity. As with many indole derivatives, it may exhibit a range of pharmacological effects, making it a candidate for further research in drug development or as a synthetic intermediate in organic chemistry.
Formula:C16H18BrNO4
InChI:InChI=1S/C16H18BrNO4/c1-5-21-14(19)13-9-10-8-11(17)6-7-12(10)18(13)15(20)22-16(2,3)4/h6-9H,5H2,1-4H3
InChI key:InChIKey=QNZSGQVIHWDDCU-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1C(OCC)=O)=CC(Br)=CC2
Synonyms:
  • 1-(tert-Butyl) 2-ethyl 5-bromo-1H-indole-1,2-dicarboxylate
  • 1H-Indole-1,2-dicarboxylic acid, 5-bromo-, 1-(1,1-dimethylethyl) 2-ethyl ester
  • 1-(1,1-Dimethylethyl) 2-ethyl 5-bromo-1H-indole-1,2-dicarboxylate
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