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CAS 898756-74-6

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3-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butanoyl]benzonitrile

Description:
3-[4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanoyl]benzonitrile, with the CAS number 898756-74-6, is a synthetic organic compound characterized by its complex structure, which includes a benzonitrile moiety and a dioxane derivative. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential solubility in organic solvents. The presence of the dioxane ring suggests it may have unique reactivity and stability characteristics, particularly in relation to its functional groups. As a benzonitrile derivative, it may exhibit biological activity, making it of interest in pharmaceutical research. Its molecular structure indicates potential for interactions with biological targets, which could be explored in drug development. Additionally, the compound's synthesis and characterization would involve standard organic chemistry techniques, including NMR and mass spectrometry, to confirm its identity and purity. Overall, this compound represents a class of molecules that may have applications in medicinal chemistry and materials science.
Formula:C17H21NO3
InChI:InChI=1/C17H21NO3/c1-17(2)11-20-16(21-12-17)8-4-7-15(19)14-6-3-5-13(9-14)10-18/h3,5-6,9,16H,4,7-8,11-12H2,1-2H3
SMILES:CC1(C)COC(CCCC(=O)c2cccc(c2)C#N)OC1
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