CAS 928708-26-3

Methyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzeneacetate

Description:

Methyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzeneacetate, identified by its CAS number 928708-26-3, is an organic compound characterized by its complex structure, which includes a pyrrole ring and an aromatic benzene moiety. This compound typically exhibits properties common to esters, such as being a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is likely to be soluble in organic solvents like ethanol and dichloromethane, while being less soluble in water due to its hydrophobic aromatic components. The presence of the formyl group suggests potential reactivity, particularly in nucleophilic addition reactions. Additionally, the methyl ester functionality indicates that it may undergo hydrolysis under basic or acidic conditions. Its unique structure may impart specific biological activities, making it of interest in medicinal chemistry and material science. As with many organic compounds, safety precautions should be taken when handling this substance, including the use of appropriate personal protective equipment.

Formula: C₁₆H₁₇NO₃

InChI: InChI=1S/C16H17NO3/c1-11-8-14(10-18)12(2)17(11)15-6-4-13(5-7-15)9-16(19)20-3/h4-8,10H,9H2,1-3H3

InChI key: InChIKey=HXANJYAVBOKAHI-UHFFFAOYSA-N

SMILES: CC=1N(C(C)=CC1C=O)C2=CC=C(CC(OC)=O)C=C2

Synonyms:

• Benzeneacetic acid, 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-, methyl ester
• Methyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzeneacetate