CAS 851879-23-7

3-[1-(1,3-Benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-propenoic acid

Description:

3-[1-(1,3-Benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-propenoic acid, with the CAS number 851879-23-7, is a synthetic organic compound characterized by its complex structure, which includes a pyrrole ring and a benzodioxole moiety. This compound features a propenoic acid functional group, indicating it has both unsaturation and acidity, which can influence its reactivity and interactions in chemical processes. The presence of the benzodioxole structure suggests potential applications in medicinal chemistry, particularly due to its association with various biological activities. The compound may exhibit properties such as antioxidant, anti-inflammatory, or anticancer effects, although specific biological activities would require empirical investigation. Its solubility, stability, and reactivity can vary based on environmental conditions and the presence of other substances. As with many organic compounds, safety and handling precautions are essential, particularly in laboratory settings, to mitigate any potential hazards associated with its use.

Formula: C₁₆H₁₅NO₄

InChI: InChI=1S/C16H15NO4/c1-10-7-12(3-6-16(18)19)11(2)17(10)13-4-5-14-15(8-13)21-9-20-14/h3-8H,9H2,1-2H3,(H,18,19)

InChI key: InChIKey=YVGAXCXQCGOXLW-UHFFFAOYSA-N

SMILES: CC=1N(C=2C=C3C(=CC2)OCO3)C(C)=CC1C=CC(O)=O

Synonyms:

• 2-Propenoic acid, 3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-
• 3-[1-(1,3-Benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-propenoic acid

(2E)-3-[1-(1,3-Dioxaindan-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid

CAS: 851879-23-7

Versatile small molecule scaffold

Formula: C₁₆H₁₅NO₄

Purity: Min. 95%

Molecular weight: 285.29 g/mol

Ref: 3D-BJB87923