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• Solvents and Organic Chemicals Organic Compounds Organic nitrogen compounds Organonitrogen compounds Oximes

Introduction to 2-Cyclohexen-1-one,3,5,5-trimethyl-, oxime (CAS No: 2157-58-6)

2-Cyclohexen-1-one,3,5,5-trimethyl-, oxime, with the chemical formula C₁₀H₁₇O₂N, is a significant compound in the field of organic chemistry and pharmaceutical research. This oxime derivative of 2-cyclohexen-1-one exhibits unique structural and functional properties that make it a valuable intermediate in synthetic chemistry and a potential candidate for various biological applications. The compound's molecular structure, characterized by a cyclohexenone core substituted with three methyl groups at the 3rd and 5th positions, enhances its reactivity and stability, making it a versatile building block in medicinal chemistry.

The CAS No 2157-58-6 uniquely identifies this compound in scientific literature and industrial applications. Its systematic name highlights key structural features: the cyclohexenone backbone provides a conjugated system suitable for electronic transitions and interactions with biological targets, while the oxime group introduces a polar functional moiety that can participate in hydrogen bonding and coordination chemistry. These features are particularly relevant in the development of novel pharmaceuticals targeting neurological and inflammatory disorders.

Recent advancements in computational chemistry have enabled more precise predictions of the 2-cyclohexen-1-one,3,5,5-trimethyl-, oxime's behavior in complex systems. Studies suggest that its oxime functionality can act as a ligand for metal ions, which is a critical property for designing metal-based therapeutics. For instance, transition metal complexes incorporating this oxime group have shown promise in catalytic applications and as potential anticancer agents due to their ability to generate reactive oxygen species or interfere with DNA replication in cancer cells.

In the realm of drug discovery, the structural motif of 2-cyclohexen-1-one derivatives has been extensively explored for their potential to modulate enzyme activity. The trimethyl substitution pattern at the 3rd and 5th positions increases the compound's lipophilicity, facilitating membrane penetration and improving bioavailability. This characteristic has been leveraged in designing kinase inhibitors, which are crucial for treating cancers and inflammatory diseases. The oxime group further enhances binding affinity by forming coordinate bonds with metal ions present in many kinases.

The synthesis of 2-Cyclohexen-1-one,3,5,5-trimethyl-, oxime typically involves the condensation of cyclohexanone derivatives with hydroxylamine under acidic conditions. Advances in green chemistry have led to the development of more sustainable synthetic routes, such as catalytic oxidation processes that minimize waste generation. These methods align with global efforts to reduce the environmental impact of chemical manufacturing while maintaining high yields and purity standards.

Biological studies on this compound have revealed intriguing interactions with cellular pathways relevant to neurodegenerative diseases. For example, preclinical trials have demonstrated that certain derivatives of 2-cyclohexen-1-one can inhibit the aggregation of amyloid-beta peptides, a hallmark protein associated with Alzheimer's disease. The oxime group's ability to form stable complexes with biological targets makes it an attractive scaffold for designing next-generation therapeutics.

The pharmaceutical industry has also explored the potential of 2-Cyclohexen-1-one,3,5,5-trimethyl-, oxime as a precursor for chiral drugs. The presence of stereocenters in its structure allows for the synthesis of enantiomerically pure compounds, which are often required for optimal pharmacological activity. Techniques such as asymmetric hydrogenation have been employed to introduce specific stereochemistry into derived molecules, enhancing their therapeutic efficacy while reducing side effects.

In conclusion,2-Cyclohexen-1-one, particularly its 3, 5, 5-trimethyl derivative when combined with an oxime group, represents a fascinating compound with broad applications in synthetic chemistry and drug development. Its unique structural features make it a valuable tool for researchers investigating new therapeutic strategies across multiple disease areas. As scientific understanding evolves，the potential uses of this compound are likely to expand，driven by innovative synthetic methodologies and interdisciplinary collaborations between chemists，biologists，and pharmacologists.

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• 80040-96-6(2-Cyclohexen-1-one,5-methyl-2-(1-methylethyl)-, oxime)
• 764660-62-0(Cyclopentanone,4,4-dimethyl-2-(1-methylethylidene)-, oxime)
• 702637-77-2(2-Cyclohexen-1-one,5-methyl-2-(1-methylethyl)-,oxime,(1E,5R)-(9CI))
• 80040-95-5(2-Cyclohexen-1-one,2-methyl-5-(1-methylethyl)-, oxime, (5R)-)
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• 21058-61-7(Pregna-4,16-diene-3,20-dione,dioxime (8CI))
• 2051-55-0(2-Cyclohexen-1-one,2-methyl-5-(1-methylethenyl)-, oxime, [S-(E)]- (9CI))