CAS 1638768-03-2

1,1-Dimethylethyl 5-(bromomethyl)-6-chloro-1H-indazole-1-carboxylate

Description:

1,1-Dimethylethyl 5-(bromomethyl)-6-chloro-1H-indazole-1-carboxylate, identified by its CAS number 1638768-03-2, is a chemical compound that features a complex structure typical of indazole derivatives. This substance contains a carboxylate functional group, which contributes to its potential reactivity and solubility characteristics. The presence of bromomethyl and chloro substituents indicates that it may exhibit interesting electrophilic properties, making it a candidate for further chemical reactions or applications in medicinal chemistry. The tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its biological activity and interaction with cellular targets. As with many halogenated compounds, it may also exhibit unique physical properties, such as altered boiling and melting points compared to non-halogenated analogs. Overall, this compound's structural features suggest it could be of interest in the development of pharmaceuticals or agrochemicals, although specific biological activity and safety profiles would require further investigation.

Formula: C₁₃H₁₄BrClN₂O₂

InChI: InChI=1S/C13H14BrClN2O2/c1-13(2,3)19-12(18)17-11-5-10(15)8(6-14)4-9(11)7-16-17/h4-5,7H,6H2,1-3H3

InChI key: InChIKey=TYFDMTUWXJTJJD-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(=CC(CBr)=C(Cl)C2)C=N1

Synonyms:

• 1H-Indazole-1-carboxylic acid, 5-(bromomethyl)-6-chloro-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 5-(bromomethyl)-6-chloro-1H-indazole-1-carboxylate