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CAS 1135283-20-3

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1-(1,1-Dimethylethyl) 2-ethyl 3-bromo-1H-indole-1,2-dicarboxylate

Description:
1-(1,1-Dimethylethyl) 2-ethyl 3-bromo-1H-indole-1,2-dicarboxylate is a chemical compound characterized by its complex structure, which includes an indole core, a bromine substituent, and two carboxylate ester groups. The presence of the tert-butyl group (1,1-dimethylethyl) and the ethyl group contributes to its hydrophobic characteristics, potentially influencing its solubility and reactivity in organic solvents. The bromine atom introduces a halogen, which can enhance the compound's reactivity in nucleophilic substitution reactions. This compound may exhibit biological activity due to the indole moiety, which is often found in various natural products and pharmaceuticals. Its dicarboxylate structure suggests potential for forming salts or undergoing hydrolysis, making it relevant in synthetic organic chemistry. Overall, the unique combination of functional groups and structural features makes this compound of interest for further research in medicinal chemistry and material science.
Formula:C16H18BrNO4
InChI:InChI=1S/C16H18BrNO4/c1-5-21-14(19)13-12(17)10-8-6-7-9-11(10)18(13)15(20)22-16(2,3)4/h6-9H,5H2,1-4H3
InChI key:InChIKey=NBLDBHBAGSIPOU-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C(Br)=C1C(OCC)=O)=CC=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-ethyl 3-bromo-1H-indole-1,2-dicarboxylate
  • 1H-Indole-1,2-dicarboxylic acid, 3-bromo-, 1-(1,1-dimethylethyl) 2-ethyl ester
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