Cas no 340257-57-0 (1,3-Dimethoxybenzene-d10)

1,3-Dimethoxybenzene-d10 structure
1,3-Dimethoxybenzene-d10 structure
Product Name:1,3-Dimethoxybenzene-d10
CAS No:340257-57-0
MF:C8H16O2
MW:154.273059844971
MDL:MFCD01073931
CID:304754
Update Time:2025-07-22

1,3-Dimethoxybenzene-d10 Chemical and Physical Properties

Names and Identifiers

    • Benzene-1,2,3,5-d4,4,6-di(methoxy-d3)- (9CI)
    • 1,3-Dimethoxybenzene-d10
    • MDL: MFCD01073931
    • Inchi: 1S/C8H16O2/c1-9-7-4-3-5-8(6-7)10-2/h7-8H,3-6H2,1-2H3/i3D2,4D2,5D2,6D2,7D,8D
    • InChI Key: MQTLTQMOALIWRO-UPEVGZBISA-N
    • SMILES: O(C)C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C1([2H])[2H])OC

Computed Properties

  • Exact Mass: 148.131
  • Monoisotopic Mass: 148.131
  • Isotope Atom Count: 10
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 83.3
  • 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
  • XLogP3: 2.2
  • Topological Polar Surface Area: 18.5A^2

Experimental Properties

  • Density: 1.079
  • Boiling Point: 217.499 °C at 760 mmHg
  • Flash Point: 87.778 °C

1,3-Dimethoxybenzene-d10 Pricemore >>

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Additional information on 1,3-Dimethoxybenzene-d10

Professional Introduction to Compound with CAS No. 340257-57-0 and Product Name: 1,3-Dimethoxybenzene-d10

The compound identified by the CAS number 340257-57-0 and the product name 1,3-Dimethoxybenzene-d10 represents a deuterated derivative of 1,3-dimethoxybenzene, a significant intermediate in organic synthesis and pharmaceutical applications. This isotope-labeled compound, specifically enriched with deuterium (D) at natural abundance, finds extensive utility in research and development due to its unique chemical properties and stability. The introduction of deuterium atoms into aromatic ring systems enhances the compound's resistance to degradation under various analytical conditions, making it an invaluable tool in spectroscopic studies.

In the realm of pharmaceutical chemistry, 1,3-Dimethoxybenzene-d10 serves as a critical building block for synthesizing complex molecules. Its structural motif is frequently employed in the development of novel therapeutic agents targeting a wide range of diseases. The dimethoxy substitution pattern on the benzene ring imparts specific electronic and steric properties that can be leveraged to modulate the biological activity of derived compounds. This makes it particularly relevant in the design of drugs with enhanced selectivity and reduced side effects.

Recent advancements in drug discovery have highlighted the importance of isotope labeling in elucidating metabolic pathways and improving drug bioavailability. The use of deuterated compounds like 1,3-Dimethoxybenzene-d10 allows researchers to track the fate of molecules within biological systems with high precision. This capability is especially valuable in studying enzyme kinetics and drug metabolism, where subtle differences in atomic mass can significantly influence reaction rates and metabolic stability. Such insights are crucial for optimizing drug candidates before they enter clinical trials.

The chemical synthesis of 1,3-Dimethoxybenzene-d10 involves carefully controlled reactions that ensure the incorporation of deuterium atoms at specific positions on the aromatic ring. Techniques such as deuterium exchange reactions and catalytic hydrogenation are commonly employed to achieve high isotopic purity. These synthetic methodologies are continuously refined to meet the demands of modern pharmaceutical research, where even minor impurities can compromise experimental results.

From an analytical chemistry perspective, 1,3-Dimethoxybenzene-d10 is an excellent internal standard for mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. Its stable isotope composition provides a reference point for accurately quantifying target analytes in complex mixtures. This application is particularly useful in environmental monitoring and food safety analysis, where trace levels of organic compounds need to be detected with high sensitivity.

The versatility of 1,3-Dimethoxybenzene-d10 extends beyond pharmaceuticals into materials science and agrochemicals. Its derivatives have been explored as intermediates in polymer synthesis and as components in specialty chemicals that exhibit unique electronic properties. The incorporation of deuterium atoms can also alter physical properties such as melting point and solubility, offering opportunities for tailoring material characteristics to specific applications.

In conclusion, the compound with CAS No. 340257-57-0 and its product name 1,3-Dimethoxybenzene-d10 represent a cornerstone in modern chemical research. Its applications span multiple industries, from drug development to advanced materials, underscoring its importance as a versatile intermediate. As research methodologies continue to evolve, the demand for high-purity deuterated compounds like this one is expected to grow, further solidifying its role as an indispensable tool in scientific innovation.

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