Cas no 2245-32-1 ((±)-1,2-Propylene-3,3,3-d3 Oxide)

(±)-1,2-Propylene-3,3,3-d3 Oxide is a deuterated analog of propylene oxide, where three hydrogen atoms at the 3-position are replaced with deuterium. This isotopic labeling enhances its utility in mechanistic studies, kinetic isotope effect investigations, and NMR spectroscopy applications. The compound retains the reactivity of propylene oxide, making it suitable for polymerization, epoxidation, and other synthetic transformations while providing distinct spectroscopic signatures. Its high isotopic purity ensures minimal interference in analytical experiments. The deuterium substitution also improves stability in certain reaction conditions, making it valuable for research in organic chemistry, pharmaceuticals, and materials science.
(±)-1,2-Propylene-3,3,3-d3 Oxide structure
2245-32-1 structure
Product Name:(±)-1,2-Propylene-3,3,3-d3 Oxide
CAS No:2245-32-1
MF:C3H6O
MW:61.097626209259
CID:250239
PubChem ID:12216770
Update Time:2025-10-28

(±)-1,2-Propylene-3,3,3-d3 Oxide Chemical and Physical Properties

Names and Identifiers

    • Oxirane, methyl-d3-(9CI)
    • 3,3,3-Trideuterio-propylenoxid
    • AC1L3ALC
    • Methyl-d3 radical
    • perdeuterated methyl radical
    • trideuteriomethyl
    • Trideuteriomethyl-oxiran
    • DTXSID301315730
    • 2-(?H?)methyloxirane
    • 2-(Trideuteriomethyl)oxirane
    • Oxirane, methyl-d3-
    • 2245-32-1
    • 1,2-PROPYLENE-3,3,3-D3 OXIDE
    • 1,2-PROPYLENE-3,3,3-D3 OXIDE (STABILIZED WITH HYDROQUINONE)
    • D99667
    • (±)-1,2-Propylene-3,3,3-d3 Oxide
    • Inchi: 1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/i1D3
    • InChI Key: GOOHAUXETOMSMM-FIBGUPNXSA-N
    • SMILES: O1CC1C([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 61.061
  • Monoisotopic Mass: 61.061
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 4
  • Rotatable Bond Count: 0
  • Complexity: 26.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 12.5A^2

(±)-1,2-Propylene-3,3,3-d3 Oxide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Additional information on (±)-1,2-Propylene-3,3,3-d3 Oxide

(±)-1,2-Propylene-3,3,3-d3 Oxide (CAS No. 2245-32-1): A Comprehensive Overview

(±)-1,2-Propylene-3,3,3-d3 Oxide, identified by the CAS registry number 2245-32-1, is a unique organic compound that has garnered significant attention in both academic and industrial research. This compound is a derivative of propylene oxide, with a distinctive deuterium substitution at the three positions of the cyclopropane ring. The presence of deuterium imparts unique chemical and physical properties to this compound, making it valuable in various applications.

The synthesis of (±)-1,2-Propylene-3,3,3-d3 Oxide involves advanced methodologies that ensure high purity and isotopic enrichment. Recent studies have highlighted its utility in neutron scattering experiments due to its high deuterium content. This compound serves as an excellent model system for studying isotopic effects on chemical reactivity and physical properties. Researchers have employed this compound to investigate the influence of deuterium substitution on reaction kinetics and thermodynamics in various chemical systems.

In the field of materials science, (±)-1,2-Propylene-3,3,3-d3 Oxide has been utilized as a precursor for the synthesis of advanced polymers and composites. Its ability to undergo controlled polymerization reactions under specific conditions has led to the development of novel materials with tailored mechanical and thermal properties. Recent breakthroughs in polymer chemistry have demonstrated the potential of this compound in creating lightweight yet durable materials for aerospace and automotive industries.

The stereochemistry of (±)-1,2-Propylene-3,3,3-d3 Oxide plays a crucial role in its reactivity and applications. The compound exists as a racemic mixture due to the presence of two enantiomers. This stereochemical diversity has been exploited in asymmetric catalysis to produce chiral intermediates for drug discovery. Recent advancements in asymmetric synthesis have leveraged this compound to develop enantioselective routes for complex pharmaceutical molecules.

In environmental chemistry, (±)-1,2-Propylene-3,3,3d6-diastereomer (a related compound) has been studied for its role in atmospheric chemistry. Researchers have investigated its degradation pathways under simulated atmospheric conditions to understand its contribution to air quality and climate change. These studies have provided valuable insights into the behavior of isotopically labeled compounds in natural systems.

The spectroscopic properties of (±)-1,2-propylene oxide dd6 (another related isotope) have been extensively studied using techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. These studies have enhanced our understanding of isotopic effects on molecular vibrations and electronic transitions. Such insights are critical for developing accurate models for predicting chemical behavior under various conditions.

In conclusion,(±)-1-propene oxide d6, orCAS ?No ? ?No ?No ?No ?No ?No ?No ?No ?No ?No ?No , stands as a testament to the intricate relationship between molecular structure and functionality. Its isotopic variations provide researchers with powerful tools to probe fundamental chemical principles while offering practical solutions across diverse scientific domains.

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