CAS 887360-12-5

Methyl 4-butoxy-1H-indole-2-carboxylate

Description:

Methyl 4-butoxy-1H-indole-2-carboxylate, identified by its CAS number 887360-12-5, is an organic compound that belongs to the indole family, characterized by the presence of an indole ring structure. This compound features a methyl ester functional group and a butoxy substituent, which contribute to its chemical properties and reactivity. Typically, compounds of this nature exhibit moderate solubility in organic solvents due to their hydrophobic indole core and the presence of the butoxy group. The indole structure is known for its biological significance, often serving as a scaffold in pharmaceuticals and agrochemicals. Methyl 4-butoxy-1H-indole-2-carboxylate may exhibit various biological activities, although specific data on its pharmacological effects may be limited. Its synthesis generally involves standard organic reactions, including esterification and substitution processes. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards in laboratory or industrial settings.

Formula: C₁₄H₁₇NO₃

InChI: InChI=1S/C14H17NO3/c1-3-4-8-18-13-7-5-6-11-10(13)9-12(15-11)14(16)17-2/h5-7,9,15H,3-4,8H2,1-2H3

InChI key: InChIKey=DDYHVHFRXTVEJU-UHFFFAOYSA-N

SMILES: O(CCCC)C1=C2C(NC(C(OC)=O)=C2)=CC=C1

Synonyms:

• 1H-Indole-2-carboxylic acid, 4-butoxy-, methyl ester
• Methyl 4-butoxy-1H-indole-2-carboxylate