Cas no 688790-78-5 (2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4)

2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4 is a deuterated derivative of 2-butyne-1,4-diol, where four hydrogen atoms are replaced with deuterium at the 1 and 4 positions. This isotopic labeling enhances its utility in mechanistic studies, kinetic isotope effect investigations, and NMR spectroscopy applications. The incorporation of deuterium reduces signal interference in spectroscopic analyses, improving resolution and accuracy in research. Its stable isotopic composition also makes it valuable as an internal standard in mass spectrometry. The compound retains the reactivity of the parent molecule, enabling its use in synthetic chemistry while providing precise tracking in deuterium-labeled experiments. Suitable for academic and industrial research requiring high isotopic purity.
2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4 structure
688790-78-5 structure
Product Name:2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4
CAS No:688790-78-5
MF:C4H6O2
MW:90.1138882637024
CID:826580
Update Time:2025-05-23

2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4 Chemical and Physical Properties

Names and Identifiers

    • 2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4
    • 1,4-Butynediol-d4
    • Inchi: 1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2/i3D2,4D2
    • InChI Key: DLDJFQGPPSQZKI-KHORGVISSA-N
    • SMILES: OC([2H])([2H])C#CC([2H])([2H])O

Computed Properties

  • Exact Mass: 90.06190

Experimental Properties

  • PSA: 40.46000
  • LogP: -1.02560

2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B755007-10mg
2-Butyne-1,4-diol-(1,1,4,4)-d4
688790-78-5
10mg
$ 167.00 2023-09-08
TRC
B755007-100mg
2-Butyne-1,4-diol-(1,1,4,4)-d4
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$ 1303.00 2023-09-08
A2B Chem LLC
AC63759-10mg
2-Butyne-1,4-diol-(1,1,4,4)-d4
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$283.00 2024-04-19
A2B Chem LLC
AC63759-100mg
2-Butyne-1,4-diol-(1,1,4,4)-d4
688790-78-5
100mg
$1386.00 2024-04-19

Additional information on 2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4

Comprehensive Analysis of 2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4 (CAS No. 688790-78-5): Properties, Applications, and Industry Trends

In the realm of isotopic labeling and specialty chemicals, 2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4 (CAS No. 688790-78-5) stands out as a deuterated derivative of 2-butyne-1,4-diol. This compound has garnered significant attention due to its unique molecular structure, where four hydrogen atoms are replaced with deuterium (D4 labeling), enhancing its utility in NMR spectroscopy, metabolic studies, and pharmaceutical research. The growing demand for isotopically labeled compounds in drug discovery and life sciences underscores the relevance of this chemical.

The deuterium-enriched nature of 2-BUTYNE-1,4-DIOL-D4 offers distinct advantages in kinetic isotope effect (KIE) studies, enabling researchers to investigate reaction mechanisms with higher precision. Recent advancements in proteomics and biomarker discovery have further propelled its adoption, as it aids in reducing signal overlap in complex biological matrices. Industry reports highlight a surge in queries related to "deuterated solvents" and "stable isotope applications," reflecting broader trends in precision medicine and diagnostic imaging.

From a synthetic perspective, CAS 688790-78-5 is synthesized through catalytic deuteration of its protonated counterpart, ensuring high isotopic purity (>98%). Its molecular stability and compatibility with organic reaction conditions make it a preferred choice for cross-coupling reactions and polymer chemistry. Notably, its role in click chemistry applications has been explored in peer-reviewed journals, aligning with the rising interest in "bioorthogonal chemistry" and "material science innovations."

Environmental and regulatory considerations are also pivotal. Unlike non-deuterated analogs, 2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4 exhibits altered physicochemical properties, influencing its biodegradation profile. This aspect resonates with the "green chemistry" movement, where researchers prioritize sustainable synthesis and eco-friendly solvents. Analytical techniques such as LC-MS and GC-IRMS are routinely employed to validate its purity, addressing the demand for "high-purity standards" in quality control laboratories.

Market dynamics reveal that 688790-78-5 is predominantly supplied by specialty chemical manufacturers catering to academic institutions and pharmaceutical giants. The compound's pricing reflects the complexities of deuterium incorporation and scale-up challenges, topics frequently searched in chemical procurement forums. Additionally, its integration into PET tracer development and drug metabolite identification has been documented in recent patents, signaling its expanding role in translational research.

Future prospects for 2-BUTYNE-1,4-DIOL-D4 are intertwined with advancements in isotope-enriched therapeutics and catalysis. As industries pivot toward personalized medicine, the need for deuterium-labeled APIs (active pharmaceutical ingredients) is anticipated to rise. Concurrently, innovations in flow chemistry and continuous manufacturing could streamline its production, addressing scalability concerns—a recurring theme in process chemistry discussions.

In summary, 2-BUTYNE-1,4-DIOL-(1,1,4,4)-D4 (CAS No. 688790-78-5) exemplifies the intersection of isotopic labeling and cutting-edge research. Its multifaceted applications, from mechanistic studies to industrial catalysis, position it as a critical tool in modern chemistry. For researchers navigating the "deuterated compounds market" or seeking "NMR shift references," this compound offers both versatility and scientific rigor.

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