CAS 1318104-17-4

1,1-Dimethylethyl 7-bromo-3-hydroxy-1H-indole-1-carboxylate

Description:

1,1-Dimethylethyl 7-bromo-3-hydroxy-1H-indole-1-carboxylate, identified by its CAS number 1318104-17-4, is a chemical compound that features an indole core, which is a bicyclic structure composed of a benzene ring fused to a pyrrole ring. This compound is characterized by the presence of a bromo substituent at the 7-position and a hydroxy group at the 3-position of the indole ring, contributing to its reactivity and potential biological activity. The ester functional group, indicated by the carboxylate moiety, suggests that it may participate in esterification reactions or serve as a prodrug. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. However, specific applications and biological activities would require further investigation through empirical studies.

Formula: C₁₃H₁₄BrNO₃

InChI: InChI=1S/C13H14BrNO3/c1-13(2,3)18-12(17)15-7-10(16)8-5-4-6-9(14)11(8)15/h4-7,16H,1-3H3

InChI key: InChIKey=NVGOTYUVLHTFSJ-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C(O)=C1)=CC=CC2Br

Synonyms:

• 1H-Indole-1-carboxylic acid, 7-bromo-3-hydroxy-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 7-bromo-3-hydroxy-1H-indole-1-carboxylate

tert-Butyl 7-bromo-3-hydroxy-1H-indole-1-carboxylate

CAS: 1318104-17-4

Formula: C₁₃H₁₄BrNO₃

Molecular weight: 312.1592

Ref: IN-DA000ZR6