Cas no 36219-23-5 (Cyclopentanone-β-d4)

Cyclopentanone-β-d4 is a deuterated analog of cyclopentanone, where four hydrogen atoms at the β-position are replaced with deuterium. This isotopic labeling enhances its utility in NMR spectroscopy and mass spectrometry, providing improved signal resolution and reduced interference from protonated species. It serves as a valuable tool in mechanistic studies, kinetic isotope effect investigations, and metabolic research, where precise tracking of molecular behavior is required. The high isotopic purity (>98%) ensures reliable data interpretation, while its chemical stability maintains consistency in experimental conditions. Its applications extend to pharmaceutical and agrochemical research, particularly in elucidating reaction pathways and degradation mechanisms.
Cyclopentanone-β-d4 structure
Cyclopentanone-β-d4 structure
Product Name:Cyclopentanone-β-d4
CAS No:36219-23-5
MF:C5H8O
MW:88.1410684585571
MDL:MFCD01074280
CID:296157
Update Time:2025-10-05

Cyclopentanone-β-d4 Chemical and Physical Properties

Names and Identifiers

    • Cyclopentanone-3,3,4,4-d4(9CI)
    • Cyclopentanone-b-d4
    • Cyclopentanone-β-d4
    • CYCLOPENTANONE-3,3,4,4-D4
    • MDL: MFCD01074280
    • Inchi: 1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2/i1D2,2D2
    • InChI Key: BGTOWKSIORTVQH-LNLMKGTHSA-N
    • SMILES: O=C1CC([2H])([2H])C([2H])([2H])C1

Computed Properties

  • Exact Mass: 88.083
  • Monoisotopic Mass: 88.083
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 58.3
  • 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
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • PSA: 17.07000
  • LogP: 1.12950

Cyclopentanone-β-d4 Pricemore >>

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Cyclopentanone-β-d4 Related Literature

Additional information on Cyclopentanone-β-d4

Cyclopentanone-β-d4 (CAS No. 36219-23-5): A Comprehensive Guide to Its Properties and Applications

Cyclopentanone-β-d4 (CAS No. 36219-23-5) is a deuterated form of cyclopentanone, a cyclic ketone widely used in organic synthesis, pharmaceuticals, and analytical chemistry. This isotopically labeled compound is particularly valuable in NMR spectroscopy and mass spectrometry, where it serves as an internal standard or tracer. The deuterium-labeled version enhances precision in quantitative analysis, making it indispensable in research and industrial applications.

The molecular structure of Cyclopentanone-β-d4 features four deuterium atoms replacing hydrogen at the beta positions, significantly altering its spectroscopic properties. This modification is crucial for applications requiring high sensitivity, such as metabolic studies and drug development. Researchers often prefer deuterated compounds like Cyclopentanone-β-d4 due to their minimal interference in analytical techniques, ensuring accurate and reproducible results.

One of the most common uses of Cyclopentanone-β-d4 is in deuterium labeling experiments, where it helps track reaction mechanisms and pathways. Its stability and compatibility with various solvents make it a versatile tool in synthetic chemistry. Additionally, the compound is frequently employed in environmental analysis, particularly in studying the degradation of organic pollutants, a topic gaining traction due to increasing environmental concerns.

Recent advancements in green chemistry have spurred interest in Cyclopentanone-β-d4 as a sustainable alternative in synthetic routes. Its role in reducing waste and improving reaction efficiency aligns with the global push for eco-friendly practices. Moreover, the compound's application in pharmaceutical research has expanded, with studies exploring its potential in developing novel therapeutics, including antiviral and anticancer agents.

The market for deuterated compounds like Cyclopentanone-β-d4 is growing rapidly, driven by increasing demand from the pharmaceutical and biotechnology sectors. Analysts predict a steady rise in its adoption, particularly in precision medicine and diagnostic imaging. As research continues to uncover new applications, the compound's significance in scientific and industrial fields is expected to grow further.

For researchers and industry professionals, sourcing high-quality Cyclopentanone-β-d4 is critical. Reputable suppliers ensure the compound's purity and isotopic enrichment, which are vital for achieving reliable results. Proper storage and handling are also essential to maintain its stability and performance over time.

In summary, Cyclopentanone-β-d4 (CAS No. 36219-23-5) is a powerful tool in modern chemistry, offering unparalleled advantages in analytical and synthetic applications. Its role in advancing scientific research and industrial processes underscores its importance in today's rapidly evolving technological landscape.

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