CAS 866137-11-3

1,3-Dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]propanedioate

Description:

1,3-Dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]propanedioate, with the CAS number 866137-11-3, is an organic compound characterized by its complex structure, which includes a propanedioate backbone and a pyrrole moiety. This compound features two methyl groups on the 1 and 3 positions of the propanedioate, enhancing its lipophilicity and potentially influencing its biological activity. The presence of the 4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl group suggests that it may exhibit interesting electronic properties and could participate in various chemical reactions due to the electron-rich nature of the pyrrole ring. Additionally, the compound's structure may allow for interactions with biological targets, making it of interest in medicinal chemistry. Its solubility, stability, and reactivity would depend on the specific conditions, such as pH and solvent, which are crucial for applications in synthesis or biological studies. Overall, this compound represents a unique combination of functional groups that may contribute to its potential utility in various chemical and pharmaceutical applications.

Formula: C₁₇H₁₉NO₄

InChI: InChI=1S/C17H19NO4/c1-11-5-6-12(2)18(11)14-9-7-13(8-10-14)15(16(19)21-3)17(20)22-4/h5-10,15H,1-4H3

InChI key: InChIKey=NGLIISIPZZFUCD-UHFFFAOYSA-N

SMILES: CC=1N(C(C)=CC1)C2=CC=C(C(C(OC)=O)C(OC)=O)C=C2

Synonyms:

• Propanedioic acid, 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-, 1,3-dimethyl ester
• 1,3-Dimethyl 2-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]propanedioate
• Propanedioic acid, [4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-, dimethyl ester