Cas no 871217-81-1 (rac Styrene Glycol-d8)

Technical Introduction: rac Styrene Glycol-d8 rac Styrene Glycol-d8 is a deuterated analog of styrene glycol, where eight hydrogen atoms are replaced with deuterium, enhancing its utility in isotopic labeling studies. This compound is particularly valuable in NMR spectroscopy and mass spectrometry, offering improved signal resolution and reduced background interference due to its deuterium substitution. Its stable isotopic labeling makes it suitable for mechanistic studies, metabolic tracing, and pharmacokinetic research. The racemic form ensures broad applicability in synthetic and analytical chemistry. rac Styrene Glycol-d8 is synthesized with high isotopic purity, ensuring reliability for precise experimental outcomes in academic and industrial research settings.
rac Styrene Glycol-d8 structure
rac Styrene Glycol-d8 structure
Product Name:rac Styrene Glycol-d8
CAS No:871217-81-1
MF:C8H10O2
MW:146.213096141815
CID:1061473
PubChem ID:71752249
Update Time:2025-06-08

rac Styrene Glycol-d8 Chemical and Physical Properties

Names and Identifiers

    • rac Styrene Glycol-d8
    • 1,1,2-trideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethane-1,2-diol
    • rac Styrene Glycol-d
    • ( inverted exclamation markA)-Phenyl glycol-d8
    • ( inverted exclamation markA)-Phenyl-1,2-ethanediol-d8
    • ( inverted exclamation markA)-Styrene Glycol-d8
    • (1,2-Dihydroxyethyl)benzene-d8
    • (RS)-1-Phenyl-1,2-ethanediol-d8
    • 1,2-Dihydroxy-1-phenylethane-d8
    • 1,2-Dihydroxy-2-phenylethane-d8
    • 1-Phenyl-1,2-ethanediol-d8
    • 1-Phenylethylene Glycol-d8
    • DTXSID20858404
    • 871217-81-1
    • 1-(~2~H_5_)Phenyl(~2~H_3_)ethane-1,2-diol
    • Inchi: 1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/i1D,2D,3D,4D,5D,6D2,8D
    • InChI Key: PWMWNFMRSKOCEY-INHGFZCOSA-N
    • SMILES: OC([2H])(C([2H])([2H])O)C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]

Computed Properties

  • Exact Mass: 138.06800
  • Monoisotopic Mass: 146.118293525g/mol
  • Isotope Atom Count: 8
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 87.3
  • 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: 0.4
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46000
  • LogP: 0.71230

rac Styrene Glycol-d8 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
S687812-1g
rac Styrene Glycol-d8
871217-81-1
1g
$155.00 2023-05-17
TRC
S687812-10g
rac Styrene Glycol-d8
871217-81-1
10g
$1206.00 2023-05-17

Additional information on rac Styrene Glycol-d8

Professional Introduction to rac Styrene Glycol-d8 (CAS No. 871217-81-1)

The compound with the chemical abstracts service number CAS No. 871217-81-1 and the product name rac Styrene Glycol-d8 represents a significant advancement in the field of chiral chemistry and pharmaceutical research. This deuterated derivative of racemic styrene glycol is widely utilized in analytical chemistry, drug development, and material science due to its unique isotopic properties and stereochemical configuration.

rac Styrene Glycol-d8 is a non-racemic isomer, which means it contains a single stereocenter with a specific configuration. The introduction of deuterium atoms (D) into the molecule enhances its stability and specificity, making it an invaluable tool in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). These analytical techniques are crucial for determining the structure and purity of complex organic compounds, particularly in the pharmaceutical industry where precise molecular characterization is essential.

In recent years, the demand for high-purity chiral compounds has surged due to their role in asymmetric synthesis and catalysis. The racemic form of styrene glycol has been extensively studied for its applications in polymer chemistry, where it serves as a monomer or crosslinking agent. However, the deuterated version, rac Styrene Glycol-d8, offers additional benefits such as reduced background noise in NMR spectra and improved sensitivity in MS analyses.

The use of deuterated compounds like rac Styrene Glycol-d8 has gained prominence in drug discovery and development. Isotope labeling techniques are employed to study metabolic pathways, protein-ligand interactions, and drug degradation mechanisms. For instance, researchers have utilized this compound to investigate the kinetics of enzyme-catalyzed reactions, providing insights into how drugs are metabolized within biological systems. Such studies are critical for optimizing drug formulations and predicting potential side effects.

The stereochemical purity of racemic compounds is another area where rac Styrene Glycol-d8 excels. Chiral drugs often exhibit different biological activities depending on their stereoisomeric form, making it imperative to use highly pure enantiomers during synthesis and analysis. The deuterated version ensures minimal interference from other stereoisomers, thereby enhancing the accuracy of research outcomes.

Recent advancements in synthetic methodologies have further expanded the applications of rac Styrene Glycol-d8. Transition metal-catalyzed reactions have been particularly effective in producing complex chiral molecules with high yields and selectivity. These techniques have enabled chemists to design novel derivatives of styrene glycol that exhibit enhanced stability and reactivity under various conditions.

The pharmaceutical industry has also benefited from the use of rac Styrene Glycol-d8 in process optimization. By incorporating deuterium atoms into key intermediates, manufacturers can improve reaction efficiency while reducing waste generation. This aligns with global efforts to develop greener synthetic routes that minimize environmental impact without compromising product quality.

In conclusion, rac Styrene Glycol-d8 (CAS No. 871217-81-1) represents a versatile and powerful tool for researchers working in chiral chemistry, pharmaceuticals, and materials science. Its unique isotopic properties enhance analytical capabilities while its stereochemical purity ensures accurate characterization of complex molecules. As scientific understanding continues to evolve, this compound will undoubtedly play an increasingly important role in advancing research across multiple disciplines.

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