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CAS 914349-31-8

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tert-butyl 3-bromo-5-nitro-indole-1-carboxylate

Description:
Tert-butyl 3-bromo-5-nitro-indole-1-carboxylate 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 specific compound features a tert-butyl ester group, a bromine atom at the 3-position, and a nitro group at the 5-position of the indole ring, contributing to its unique reactivity and properties. The presence of the nitro group typically enhances the compound's electrophilicity, making it useful in various synthetic applications. The tert-butyl group provides steric hindrance, which can influence the compound's solubility and reactivity. This compound is often utilized in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its potential biological activity. Additionally, its molecular structure allows for various functionalization reactions, making it a versatile intermediate in chemical synthesis. As with many brominated and nitro compounds, appropriate safety measures should be taken when handling this substance due to potential toxicity and environmental concerns.
Formula:C13H13BrN2O4
InChI:InChI=1/C13H13BrN2O4/c1-13(2,3)20-12(17)15-7-10(14)9-6-8(16(18)19)4-5-11(9)15/h4-7H,1-3H3
SMILES:CC(C)(C)OC(=O)n1cc(c2cc(ccc12)N(=O)=O)Br
Synonyms:
  • 1-Boc-3-bromo-5-nitroindole
  • tert-Butyl 3-bromo-5-nitro-1H-indole-1-carboxylate
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