CAS 42866-02-4

[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid

Description:

[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid, with the CAS number 42866-02-4, is a chemical compound characterized by its unique structure, which includes a pyrrole ring substituted with a 3,5-dimethylphenyl group and an acetic acid moiety. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as moderate solubility in organic solvents and potential reactivity due to the presence of functional groups. The pyrrole ring contributes to its aromatic character, while the acetic acid group can participate in hydrogen bonding and influence its acidity. The presence of multiple methyl groups enhances its hydrophobic characteristics, which may affect its biological activity and interactions in various environments. Compounds like this can be of interest in medicinal chemistry, potentially serving as intermediates or active pharmaceutical ingredients due to their structural complexity and the presence of functional groups that can interact with biological targets. Further studies would be necessary to elucidate its specific applications and biological properties.

Formula: C₁₆H₁₉NO₂

InChI: InChI=1/C16H19NO2/c1-10-5-11(2)7-15(6-10)17-12(3)8-14(13(17)4)9-16(18)19/h5-8H,9H2,1-4H3,(H,18,19)

SMILES: Cc1cc(C)cc(c1)n1c(C)cc(CC(=O)O)c1C

2-[1-(3,5-Dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid

CAS: 42866-02-4

Versatile small molecule scaffold

Formula: C₁₆H₁₉NO₂

Purity: Min. 95%

Molecular weight: 257.33 g/mol

Ref: 3D-SBA86602