CAS 93941-03-8

1,3-Diethyl 2-[(5-bromo-1H-indol-3-yl)methylene]propanedioate

Description:

1,3-Diethyl 2-[(5-bromo-1H-indol-3-yl)methylene]propanedioate, with the CAS number 93941-03-8, is a chemical compound characterized by its complex structure, which includes an indole moiety and a propanedioate backbone. This compound typically exhibits properties associated with both the indole and ester functional groups, such as potential biological activity and reactivity. The presence of the bromine atom suggests enhanced electrophilicity, which may influence its reactivity in various chemical reactions. Additionally, the diethyl ester groups contribute to its solubility in organic solvents and may affect its pharmacokinetic properties if considered for biological applications. The compound's structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the indole's known role in various biological processes. Overall, this compound's unique characteristics make it a subject of interest for further research in both synthetic and medicinal chemistry.

Formula: C₁₆H₁₆BrNO₄

InChI: InChI=1S/C16H16BrNO4/c1-3-21-15(19)13(16(20)22-4-2)7-10-9-18-14-6-5-11(17)8-12(10)14/h5-9,18H,3-4H2,1-2H3

InChI key: InChIKey=XFWAGGLINZUVII-UHFFFAOYSA-N

SMILES: C(=C(C(OCC)=O)C(OCC)=O)C=1C=2C(NC1)=CC=C(Br)C2

Synonyms:

• Propanedioic acid, 2-[(5-bromo-1H-indol-3-yl)methylene]-, 1,3-diethyl ester
• 2-(5-Bromo-1H-indol-3-ylmethylene)-malonic acid diethyl ester
• Propanedioic acid, [(5-bromo-1H-indol-3-yl)methylene]-, diethyl ester
• NSC 163288
• 1,3-Diethyl 2-[(5-bromo-1H-indol-3-yl)methylene]propanedioate