Cas no 1189863-31-7 (1,3-Dichloro-2-(methoxymethoxy)propane-d5)

1,3-Dichloro-2-(methoxymethoxy)propane-d5 is a deuterated analog of 1,3-dichloro-2-(methoxymethoxy)propane, where five hydrogen atoms are replaced with deuterium. This isotopic labeling enhances its utility in NMR spectroscopy and mass spectrometry, providing improved signal resolution and reduced interference in mechanistic studies. The compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of deuterated pharmaceuticals or agrochemicals, where isotopic labeling is critical for tracking metabolic pathways. Its stable deuterium incorporation ensures minimal kinetic isotope effects, making it suitable for precise analytical applications. The methoxymethoxy protecting group also offers selective reactivity, facilitating controlled synthetic transformations.
1,3-Dichloro-2-(methoxymethoxy)propane-d5 structure
1189863-31-7 structure
Product Name:1,3-Dichloro-2-(methoxymethoxy)propane-d5
CAS No:1189863-31-7
MF:C5H10Cl2O2
MW:178.068508625031
CID:1063266
PubChem ID:45038967
Update Time:2025-10-28

1,3-Dichloro-2-(methoxymethoxy)propane-d5 Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dichloro-2-(methoxymethoxy)propane-d5
    • 1,3-dichloro-1,1,2,3,3-pentadeuterio-2-(methoxymethoxy)propane
    • J-003999
    • [2-Chloro-1-(chloromethyl)ethoxy]methoxymethane-d5
    • DTXSID00661913
    • 1,3-Dichloro-2-(methoxymethoxy)(~2~H_5_)propane
    • DB-301040
    • 1189863-31-7
    • Inchi: 1S/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3/i2D2,3D2,5D
    • InChI Key: GEGJQMIXBNYSQG-WHVBSWTDSA-N
    • SMILES: ClC([2H])([2H])C([2H])(C([2H])([2H])Cl)OCOC

Computed Properties

  • Exact Mass: 177.03700
  • Monoisotopic Mass: 177.0371687g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 56.9
  • 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: 1.3
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46000
  • LogP: 1.45310

1,3-Dichloro-2-(methoxymethoxy)propane-d5 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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1,3-Dichloro-2-(methoxymethoxy)propane-d5
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$150.00 2023-05-18
TRC
D435102-50mg
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1,3-Dichloro-2-(methoxymethoxy)propane-d5 Related Literature

Additional information on 1,3-Dichloro-2-(methoxymethoxy)propane-d5

Professional Introduction to Compound with CAS No. 1189863-31-7 and Product Name: 1,3-Dichloro-2-(methoxymethoxy)propane-d5

The compound with the CAS number 1189863-31-7 and the product name 1,3-Dichloro-2-(methoxymethoxy)propane-d5 represents a significant advancement in the field of organic chemistry and pharmaceutical research. This deuterated derivative of 1,3-dichloro-2-(methoxymethoxy)propane is particularly valued for its applications in synthetic chemistry, particularly in the development of complex molecular structures. The introduction of deuterium atoms into the molecular framework enhances the compound's stability and purity, making it an invaluable tool for researchers aiming to achieve high precision in their synthetic pathways.

1,3-Dichloro-2-(methoxymethoxy)propane-d5 is a versatile intermediate that finds extensive use in the synthesis of pharmaceuticals and agrochemicals. Its unique structure, featuring both chlorine substituents and methoxymethoxy functional groups, allows for a wide range of chemical modifications. These modifications are crucial for tailoring the properties of target molecules, ensuring optimal biological activity and pharmacokinetic profiles. The deuterated version of this compound is especially useful in studying metabolic pathways and drug interactions, providing insights that are not achievable with non-deuterated analogs.

In recent years, there has been a growing interest in deuterated compounds due to their potential benefits in drug development. Deuterium labeling can significantly alter the metabolic stability of a molecule, leading to improved bioavailability and reduced degradation rates. This has made 1,3-Dichloro-2-(methoxymethoxy)propane-d5 a subject of intense research in medicinal chemistry. Studies have demonstrated that deuterated drugs can exhibit longer half-lives and enhanced efficacy, making them attractive candidates for clinical trials. The compound's role in developing such drugs underscores its importance in modern pharmaceutical research.

The synthesis of 1,3-Dichloro-2-(methoxymethoxy)propane-d5 involves precise control over reaction conditions to ensure the incorporation of deuterium atoms at specific positions. Advanced techniques such as deuterium exchange reactions are employed to achieve this level of selectivity. These techniques are critical for producing high-purity compounds that meet the stringent requirements of pharmaceutical applications. The ability to manipulate deuterium atoms with such precision opens up new avenues for drug design and optimization.

One of the most compelling applications of 1,3-Dichloro-2-(methoxymethoxy)propane-d5 is in the field of proteomics and metabolomics. Deuterated compounds are often used as internal standards in mass spectrometry analyses, allowing researchers to accurately quantify biological molecules. The stability provided by deuterium labeling ensures that these compounds do not degrade during analysis, leading to more reliable results. This has significant implications for understanding complex biological systems and identifying potential therapeutic targets.

The use of 1,3-Dichloro-2-(methoxymethoxy)propane-d5 also extends to materials science and polymer chemistry. Its unique reactivity makes it an excellent building block for creating novel polymers with tailored properties. These polymers can find applications in various industries, including electronics and biomedicine. The incorporation of deuterium atoms can further enhance the performance characteristics of these materials, making them more durable and resistant to environmental factors.

Recent advancements in computational chemistry have further highlighted the importance of 1,3-Dichloro-2-(methoxymethoxy)propane-d5. Molecular modeling studies have shown that deuterated compounds can exhibit different electronic properties compared to their non-deuterated counterparts. These differences can be exploited to design molecules with enhanced binding affinity and selectivity. Such insights are crucial for developing drugs that interact more effectively with biological targets.

The environmental impact of using deuterated compounds is also a topic of increasing interest. While these compounds offer numerous benefits in terms of drug development and material science, their long-term effects on ecosystems need to be carefully evaluated. Research is ongoing to understand how deuterium-labeled molecules behave in natural environments and how they can be safely disposed of without causing harm.

In conclusion, 1,3-Dichloro-2-(methoxymethoxy)propane-d5 represents a significant contribution to the field of organic chemistry and pharmaceutical research. Its unique properties make it an invaluable tool for synthetic chemists and researchers working on drug development. The growing interest in deuterated compounds underscores their potential to revolutionize modern medicine and materials science. As research continues to uncover new applications for this compound, its importance is only set to increase.

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