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CAS 129822-46-4

:

tert-butyl 4-chloro-1H-indole-1-carboxylate

Description:
Tert-butyl 4-chloro-1H-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. The presence of a tert-butyl group enhances its lipophilicity, making it more soluble in organic solvents. The 4-chloro substituent introduces a halogen atom, which can influence the compound's reactivity and biological activity. The carboxylate functional group, derived from the carboxylic acid, suggests potential for further chemical modifications and reactivity, particularly in esterification or amidation reactions. This compound may be of interest in medicinal chemistry and organic synthesis due to its structural features, which can be leveraged for the development of pharmaceuticals or agrochemicals. Its specific properties, such as melting point, boiling point, and spectral data, would typically be determined through experimental methods. As with many organic compounds, safety data sheets should be consulted for handling and storage guidelines, given the potential hazards associated with its chemical structure.
Formula:C13H14ClNO2
InChI:InChI=1/C13H14ClNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-8H,1-3H3
SMILES:CC(C)(C)OC(=O)n1ccc2c(cccc12)Cl
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