Cas no 78645-87-1 (3-Hydroxypropionitrile-d2)

3-Hydroxypropionitrile-d2 is a deuterated analog of 3-hydroxypropionitrile, where two hydrogen atoms are replaced with deuterium. This isotopic labeling enhances its utility in NMR spectroscopy and mass spectrometry, providing distinct spectral signatures for precise tracking in mechanistic studies and metabolic research. The compound retains the reactive hydroxyl and nitrile functional groups of its non-deuterated counterpart, making it valuable in synthetic chemistry for deuterium-labeled intermediates. Its high isotopic purity ensures minimal interference in analytical applications, while its stability under standard conditions facilitates handling. This product is particularly useful in pharmaceutical and biochemical research, where deuterium incorporation is critical for isotopic tracing or kinetic isotope effect studies.
3-Hydroxypropionitrile-d2 structure
3-Hydroxypropionitrile-d2 structure
Product Name:3-Hydroxypropionitrile-d2
CAS No:78645-87-1
MF:C3H5NO
MW:73.0902240276337
CID:4552383
Update Time:2025-06-12

3-Hydroxypropionitrile-d2 Chemical and Physical Properties

Names and Identifiers

    • 3-Hydroxypropionitrile-d2
    • 2,2-dideuterio-3-hydroxypropanenitrile
    • Inchi: 1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2/i1D2
    • InChI Key: WSGYTJNNHPZFKR-DICFDUPASA-N
    • SMILES: C(#N)C([2H])([2H])CO

3-Hydroxypropionitrile-d2 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Additional information on 3-Hydroxypropionitrile-d2

Introduction to 3-Hydroxypropionitrile-d2 (CAS No. 78645-87-1)

3-Hydroxypropionitrile-d2, identified by the Chemical Abstracts Service Number (CAS No.) 78645-87-1, is a deuterated derivative of 3-hydroxypropionitrile, a compound of significant interest in the field of organic synthesis and biochemical research. This isotope-labeled compound finds extensive applications in analytical chemistry, metabolic studies, and pharmaceutical research due to its unique properties derived from the incorporation of deuterium atoms.

The molecular structure of 3-Hydroxypropionitrile-d2 consists of a propyl chain with a nitrile group (-CN) and a hydroxyl group (-OH) at the third carbon position. The deuterium substitution at specific hydrogen atoms enhances the compound's stability and specificity in nuclear magnetic resonance (NMR) spectroscopy, making it an invaluable tool for structural elucidation and dynamic studies in molecular chemistry.

In recent years, advancements in isotope labeling techniques have expanded the utility of 3-Hydroxypropionitrile-d2 in drug discovery and metabolic pathway analysis. Researchers have leveraged this compound to study the kinetics of enzymatic reactions involving β-hydroxyacyl-CoA dehydrogenase, an enzyme critical in fatty acid metabolism. The deuterium labeling provides a means to trace metabolic intermediates with high precision, facilitating a deeper understanding of biochemical pathways.

The pharmaceutical industry has also harnessed the potential of 3-Hydroxypropionitrile-d2 in the development of novel therapeutic agents. Its incorporation into synthetic intermediates allows for the creation of labeled probes that aid in diagnostic imaging and pharmacokinetic studies. For instance, PET (positron emission tomography) tracers derived from this compound have been explored for monitoring metabolic processes in vivo, offering insights into disease mechanisms and treatment responses.

Furthermore, the use of 3-Hydroxypropionitrile-d2 in synthetic organic chemistry has led to innovative methodologies for constructing complex molecules. The nitrile group can be selectively reduced to aldehydes or carboxylic acids under controlled conditions, while the hydroxyl group serves as a versatile functional handle for further derivatization. These properties make it a cornerstone in multi-step syntheses aimed at producing bioactive molecules.

Recent studies have highlighted the role of 3-Hydroxypropionitrile-d2 in polymer chemistry, where it serves as a monomer or crosslinking agent for specialty polymers. The incorporation of deuterium atoms imparts unique thermal and chemical properties to these materials, enhancing their performance in demanding applications such as high-performance coatings or biodegradable plastics.

The environmental impact of using labeled compounds like 3-Hydroxypropionitrile-d2 has also been examined. Unlike traditional tracers that may persist in ecosystems, deuterated derivatives are metabolically inert and pose minimal ecological risk upon degradation. This aligns with growing regulatory pressures to adopt greener chemical practices in research and industry.

Looking ahead, the demand for high-purity isotope-labeled compounds such as 3-Hydroxypropionitrile-d2 is expected to rise as techniques for stable isotope production improve. Innovations in catalytic hydrogenation and asymmetric synthesis will further expand its applications, particularly in asymmetric synthesis where enantioselective control over chiral centers is paramount.

In conclusion, 3-Hydroxypropionitrile-d2 (CAS No. 78645-87-1) represents a critical component in modern chemical research, bridging gaps between fundamental organic chemistry and applied biomedical sciences. Its versatility as an analytical tool, pharmaceutical intermediate, and synthetic building block underscores its importance as a reagent of choice for scientists worldwide.

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