Cas no 4500-20-3 (4-phenylcyclohexanone oxime)

4-Phenylcyclohexanone oxime is a versatile intermediate in organic synthesis, particularly valuable for its role in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its oxime functional group enables efficient transformations, such as Beckmann rearrangements, to yield amides or lactams, which are critical in drug development. The phenyl-substituted cyclohexanone backbone provides structural rigidity, enhancing selectivity in synthetic pathways. This compound exhibits good stability under standard conditions, facilitating handling and storage. Its well-defined reactivity profile makes it a reliable building block for constructing complex molecular architectures. Researchers appreciate its consistent purity and compatibility with a range of reaction conditions, ensuring reproducible results in synthetic applications.
4-phenylcyclohexanone oxime structure
4-phenylcyclohexanone oxime structure
Product Name:4-phenylcyclohexanone oxime
CAS No:4500-20-3
MF:C12H15NO
MW:189.253603219986
MDL:MFCD00456899
CID:929770
PubChem ID:343882
Update Time:2025-10-29

4-phenylcyclohexanone oxime Chemical and Physical Properties

Names and Identifiers

    • N-hydroxy-4-phenylcyclohexanimine
    • 4-Phenylcyclohexane-1-oneoxime
    • 4-Phenylcyclohexanone oxime
    • N-(4-phenylcyclohexylidene)hydroxylamine
    • (+-)-1-Phenyl-cyclohexanon-(4)-oxim
    • (+-)-1-phenyl-cyclohexanone-(4)-oxime
    • 1-(hydroxyimino)-4-phenylcyclohexane
    • AB06054
    • AC1L7ZB5
    • AG-F-57137
    • CTK1D7961
    • NSC400452
    • AKOS008939852
    • DS-011624
    • NCI60_003738
    • NSC 400452
    • 4-phenylcylohexanone oxime
    • 4Phenylcyclohexanone Oxime
    • MFCD00456899
    • LS-05120
    • 4-Phenylcyclohexanoneoxime
    • 4500-20-3
    • NSC-400452
    • CHEMBL1996910
    • JTLAHVRPWDIEMU-UHFFFAOYSA-N
    • SY084875
    • CS-0160898
    • SCHEMBL257216
    • ALBB-016469
    • CYCLOHEXANONE, 4-PHENYL-, OXIME
    • 4-phenylcyclohexanone oxime
    • MDL: MFCD00456899
    • Inchi: 1S/C12H15NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11,14H,6-9H2/b13-12-
    • InChI Key: JTLAHVRPWDIEMU-SEYXRHQNSA-N
    • SMILES: O/N=C1/CCC(C2C=CC=CC=2)CC/1

Computed Properties

  • Exact Mass: 189.11545
  • Monoisotopic Mass: 189.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 196
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 32.6?2

Experimental Properties

  • PSA: 32.59

4-phenylcyclohexanone oxime Security Information

  • HazardClass:IRRITANT

4-phenylcyclohexanone oxime Pricemore >>

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Additional information on 4-phenylcyclohexanone oxime

4-Phenylcyclohexanone Oxime: A Comprehensive Overview

4-Phenylcyclohexanone oxime, identified by the CAS number 4500-20-3, is a chemical compound that has garnered significant attention in various fields due to its unique properties and versatile applications. This compound is an oxime derivative of 4-phenylcyclohexanone, which is a cyclic ketone with a phenyl group attached at the fourth position of the cyclohexane ring. The conversion of the ketone group into an oxime introduces a hydroxylamine (-NHOH) functional group, which significantly alters the chemical reactivity and physical properties of the molecule.

The synthesis of 4-phenylcyclohexanone oxime typically involves the reaction of 4-phenylcyclohexanone with hydroxylamine or its derivatives under specific conditions. This transformation is often catalyzed by acids or bases, depending on the desired reaction pathway and product purity. The resulting oxime exhibits distinct characteristics compared to its parent ketone, including increased nucleophilicity and potential for further functionalization.

Recent studies have highlighted the importance of 4-phenylcyclohexanone oxime in organic synthesis, particularly in the construction of complex molecular frameworks. Researchers have utilized this compound as an intermediate in the synthesis of various bioactive molecules, including pharmaceutical agents and agrochemicals. Its ability to undergo multiple reaction pathways, such as cycloadditions, Michael additions, and enamine formations, makes it a valuable building block in modern organic chemistry.

In addition to its role in organic synthesis, 4-phenylcyclohexanone oxime has found applications in materials science. For instance, it has been employed in the development of novel polymers and hybrid materials with tailored properties. The incorporation of this compound into polymer matrices has been shown to enhance mechanical strength and thermal stability, making it a promising candidate for advanced materials applications.

The pharmacological potential of 4-phenylcyclohexanone oxime has also been explored in recent years. Studies have demonstrated that this compound exhibits anti-inflammatory and antioxidant activities, suggesting its potential use in drug development. Furthermore, its ability to modulate cellular signaling pathways makes it a subject of interest for researchers investigating therapeutic targets for various diseases.

The environmental impact and sustainability aspects of 4-phenylcyclohexanone oxime have also come under scrutiny in recent research. Scientists are exploring green chemistry approaches to synthesize this compound using renewable resources and energy-efficient methods. These efforts aim to reduce the ecological footprint associated with its production while maintaining high yields and product quality.

In conclusion, 4-phenylcyclohexanone oxime, with its CAS number 4500-20-3, stands as a versatile and multifaceted compound with applications spanning organic synthesis, materials science, pharmacology, and environmental chemistry. As research continues to uncover new facets of its chemistry and utility, this compound is poised to play an increasingly important role in advancing scientific and technological frontiers.

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