100-64-1 | Cyclohexanone oxime

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$16.00	$11.00
5g	95%	in stock	$19.00	$13.00
25g	95%	in stock	$27.00	$19.00
100g	95%	in stock	$63.00	$45.00
500g	95%	in stock	$251.00	$176.00

Description

• Catalog Number: AA00054
• Chemical Name: Cyclohexanone oxime
• CAS Number: 100-64-1
• Molecular Formula: C6H11NO
• Molecular Weight: 113.15763999999999
• MDL Number: MFCD00001660
• SMILES: ON=C1CCCCC1
• NSC Number: 6300

Computed Properties

• Complexity: 90.7
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• XLogP3: 1.2

Upstream Synthesis Route

Cyclohexanone oxime is a versatile compound used in various chemical synthesis applications. Due to its unique chemical properties, it is commonly employed as a key building block in the production of various important chemicals and pharmaceuticals. One of the main uses of cyclohexanone oxime is as a precursor in the synthesis of caprolactam, a monomer used in the production of nylon-6. Additionally, it can also be utilized in the preparation of other valuable compounds such as cyclohexanone, an important industrial solvent, and as an intermediate in the production of pesticides and pharmaceuticals. Its ability to undergo various chemical transformations makes it a valuable and essential reagent in the field of organic chemistry.

Literature

• Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001

• Reusable task-specific ionic liquids for a clean ε-caprolactam synthesis under mild conditions.

  ChemSusChem 20101217

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Oximes: metabolic activation and structure-allergenic activity relationships.

  Journal of medicinal chemistry 20080424

• Hierarchically structured monolithic silicalite-1 consisting of crystallized nanoparticles and its performance in the Beckmann rearrangement of cyclohexanone oxime.

  Journal of the American Chemical Society 20050914

• Analysis of rat bone marrow by flow cytometry following in vivo exposure to cyclohexanone oxime or daunomycin HCl.

  Toxicology and applied pharmacology 20021115

• Anomalous mutagenicity profile of cyclohexanone oxime in bacteria: cell survival in background lawns.

  Mutation research 20011018