Cas no 95249-93-7 (CYCLOPROPYL-1-D1 METHYL-D3 KETONE)

Cyclopropyl-1-d1 methyl-d3 ketone is a deuterated ketone compound featuring selective isotopic labeling at the cyclopropyl and methyl positions. The incorporation of deuterium (D) at these sites enhances its utility in mechanistic studies, kinetic isotope effect (KIE) investigations, and metabolic research, where isotopic tracing is critical. The compound’s stable isotopic labeling minimizes interference from protonated analogs, improving accuracy in mass spectrometry and NMR analyses. Its well-defined structure and high isotopic purity make it suitable for applications in pharmaceutical development, organic synthesis, and deuterated intermediate preparation. The product is synthesized under controlled conditions to ensure consistent quality and isotopic enrichment, meeting rigorous research standards.
CYCLOPROPYL-1-D1 METHYL-D3 KETONE structure
95249-93-7 structure
Product Name:CYCLOPROPYL-1-D1 METHYL-D3 KETONE
CAS No:95249-93-7
MF:C5H8O
MW:88.1410684585571
CID:1001518
PubChem ID:118855857
Update Time:2025-05-21

CYCLOPROPYL-1-D1 METHYL-D3 KETONE Chemical and Physical Properties

Names and Identifiers

    • CYCLOPROPYL-1-D1 METHYL-D3 KETONE
    • 95249-93-7
    • CS-0567622
    • Cyclopropyl-1 Methyl-Ketone-d4
    • D99462
    • HY-Y0226S
    • 2,2,2-Trideuterio-1-(1-deuteriocyclopropyl)ethanone
    • 1-[(1-?H)cyclopropyl](?H?)ethan-1-one
    • DB-319046
    • Inchi: 1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3/i1D3,5D
    • InChI Key: HVCFCNAITDHQFX-DUVDRHTGSA-N
    • SMILES: O=C(C([2H])([2H])[2H])C1([2H])CC1

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: 1
  • Complexity: 72
  • 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: 0.5
  • Topological Polar Surface Area: 17.1A^2

CYCLOPROPYL-1-D1 METHYL-D3 KETONE Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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$ 64.00 2023-09-08
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$81.00 2023-05-18
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Additional information on CYCLOPROPYL-1-D1 METHYL-D3 KETONE

CAS No. 95249-93-7: Cyclopropyl-1-D1 Methyl-D3 Ketone

The compound Cyclopropyl-1-D1 Methyl-D3 Ketone (CAS No. 95249-93-7) is a specialized organic compound that has garnered attention in various scientific and industrial applications. This compound is notable for its unique structure, which incorporates a cyclopropane ring and a ketone functional group, along with deuterium isotopes. The presence of deuterium in the molecule introduces interesting properties, particularly in nuclear magnetic resonance (NMR) spectroscopy and other analytical techniques.

Recent studies have highlighted the importance of deuterated compounds like Cyclopropyl-1-D1 Methyl-D3 Ketone in the field of drug discovery and development. Deuterium, being a heavier isotope of hydrogen, can influence the pharmacokinetics and stability of molecules. This makes such compounds valuable tools in understanding the behavior of drugs within biological systems. For instance, researchers have utilized this compound to study the effects of hydrogen/deuterium exchange on enzyme kinetics and protein-ligand interactions.

The synthesis of Cyclopropyl-1-D1 Methyl-D3 Ketone involves advanced organic chemistry techniques, including deuterium labeling methods. The process typically begins with the preparation of cyclopropane derivatives, followed by selective deuteration at specific positions to achieve the desired isotopic composition. The introduction of the ketone group adds another layer of functionality, enabling this compound to participate in various chemical reactions and applications.

In terms of applications, Cyclopropyl-1-D1 Methyl-D3 Ketone has found utility in materials science as well. Its unique electronic properties make it a candidate for use in organic electronics and optoelectronic devices. Recent research has explored its potential as a component in organic light-emitting diodes (OLEDs) and organic photovoltaic cells (OPVs). The cyclopropane ring contributes to the molecule's rigidity, which is advantageous for certain electronic applications.

Another area where this compound has shown promise is in analytical chemistry. Due to its distinct NMR signature, it serves as an ideal reference material for calibrating instruments and validating experimental setups. The deuterium atoms provide clear signals that are easily distinguishable from those of protium, enhancing the accuracy of NMR analyses.

Moreover, Cyclopropyl-1-D1 Methyl-D3 Ketone has been employed in environmental science to study degradation pathways of organic compounds under various conditions. Its stability and reactivity make it a useful model compound for understanding how similar molecules behave in natural environments.

In conclusion, Cyclopropyl-1-D1 Methyl-D3 Ketone (CAS No. 95249-93-7) is a versatile compound with applications spanning drug discovery, materials science, analytical chemistry, and environmental studies. Its unique structure and properties continue to make it a subject of interest for researchers seeking innovative solutions across diverse fields.

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