CAS 39053-79-7

α,α-Dimethyl-1,3-benzodioxole-5-acetonitrile

Description:

α,α-Dimethyl-1,3-benzodioxole-5-acetonitrile, with the CAS number 39053-79-7, is an organic compound characterized by its unique structure that includes a benzodioxole moiety and an acetonitrile functional group. This compound typically exhibits a colorless to pale yellow appearance and is soluble in organic solvents, which is common for many compounds containing dioxole and nitrile groups. Its molecular structure suggests potential applications in organic synthesis and medicinal chemistry, particularly due to the presence of the dioxole ring, which can participate in various chemical reactions. The compound may also exhibit interesting biological activities, although specific data on its pharmacological properties may be limited. As with many organic compounds, handling should be done with care, considering potential toxicity and reactivity. Proper safety protocols should be followed when working with this substance in a laboratory setting.

Formula: C₁₁H₁₁NO₂

InChI: InChI=1S/C11H11NO2/c1-11(2,6-12)8-3-4-9-10(5-8)14-7-13-9/h3-5H,7H2,1-2H3

InChI key: InChIKey=CBBJHDSNBQSHIN-UHFFFAOYSA-N

SMILES: C(C#N)(C)(C)C=1C=C2C(=CC1)OCO2

Synonyms:

• 1,3-Benzodioxole-5-acetonitrile, α,α-dimethyl-
• 2-(1,3-Dioxaindan-5-yl)-2-methylpropanenitrile
• α,α-Dimethyl-1,3-benzodioxole-5-acetonitrile
• 2-(2H-1,3-Benzodioxol-5-yl)-2-methylpropanenitrile

2-(1,3-Dioxaindan-5-yl)-2-methylpropanenitrile

CAS: 39053-79-7

Versatile small molecule scaffold

Formula: C₁₁H₁₁NO₂

Purity: Min. 95%

Molecular weight: 189.21 g/mol

Ref: 3D-PBA05379