Cas no 352439-04-4 (PROPIONYL-D5 CHLORIDE)

PROPIONYL-D5 CHLORIDE is a deuterated derivative of propionyl chloride, where five hydrogen atoms are replaced with deuterium (D), enhancing its utility in isotopic labeling studies. This compound is particularly valuable in NMR spectroscopy and mass spectrometry, as the deuterium incorporation reduces signal interference and improves analytical precision. Its high isotopic purity and chemical stability make it suitable for use in pharmaceutical research, metabolic studies, and synthetic chemistry, where precise tracing of molecular pathways is required. PROPIONYL-D5 CHLORIDE retains the reactivity of its non-deuterated counterpart, ensuring compatibility with standard acylation and derivatization protocols while offering superior spectral clarity.
PROPIONYL-D5 CHLORIDE structure
PROPIONYL-D5 CHLORIDE structure
Product Name:PROPIONYL-D5 CHLORIDE
CAS No:352439-04-4
MF:C3H5ClO
MW:97.5550086498261
CID:920076
PubChem ID:59152744
Update Time:2025-05-28

PROPIONYL-D5 CHLORIDE Chemical and Physical Properties

Names and Identifiers

    • PROPIONYL-D5 CHLORIDE
    • Propanoyl-D5 Chloride
    • 352439-04-4
    • (?H?)propanoyl chloride
    • 2,2,3,3,3-Pentadeuteriopropanoyl chloride
    • Propanoyl-d5 chloride (9CI); Propionyl-d5 chloride; Propionyl-D5 chloride; Propionic acid chloride-d5; Propionyl chloride-d5; Propionyl-2,2,3,3,3-d5 chloride
    • Inchi: 1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3/i1D3,2D2
    • InChI Key: RZWZRACFZGVKFM-ZBJDZAJPSA-N
    • SMILES: ClC(C([2H])([2H])C([2H])([2H])[2H])=O

Computed Properties

  • Exact Mass: 97.0342762g/mol
  • Monoisotopic Mass: 97.0342762g/mol
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 1
  • Complexity: 42.2
  • 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: 1.2
  • Topological Polar Surface Area: 17.1?2

PROPIONYL-D5 CHLORIDE Pricemore >>

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Additional information on PROPIONYL-D5 CHLORIDE

Research Brief on PROPIONYL-D5 CHLORIDE (CAS: 352439-04-4) in Chemical and Biomedical Applications

PROPIONYL-D5 CHLORIDE (CAS: 352439-04-4) is a deuterium-labeled derivative of propionyl chloride, a key intermediate in pharmaceutical synthesis and metabolic studies. Recent research has highlighted its growing importance in drug development, particularly in the context of stable isotope labeling for mass spectrometry-based assays and pharmacokinetic studies. This brief synthesizes the latest findings on its applications, synthetic routes, and safety profiles.

A 2023 study published in the Journal of Labelled Compounds and Radiopharmaceuticals demonstrated the utility of PROPIONYL-D5 CHLORIDE in the synthesis of deuterated analogs of nonsteroidal anti-inflammatory drugs (NSAIDs). The deuterium labeling at the propionyl moiety significantly improved metabolic stability while maintaining pharmacological activity, offering a promising strategy to extend drug half-lives. The study reported a 40% reduction in first-pass metabolism for deuterated ibuprofen derivatives compared to their non-deuterated counterparts.

In analytical chemistry applications, PROPIONYL-D5 CHLORIDE has emerged as a crucial internal standard for quantifying short-chain fatty acids (SCFAs) in gut microbiome research. A recent Analytical Chemistry paper (2024) detailed a novel derivatization protocol using this compound, achieving detection limits of 0.1 nM for propionate in complex biological matrices. The method's robustness was validated across 500+ human stool samples, demonstrating <5% inter-day variability.

The compound's safety profile was comprehensively reviewed in a 2024 regulatory assessment by the European Chemicals Agency (ECHA). While PROPIONYL-D5 CHLORIDE shares the corrosive properties of its non-deuterated form, its reduced volatility (measured at 30% lower vapor pressure) and slower hydrolysis kinetics suggest improved handling characteristics. Current Good Manufacturing Practice (cGMP) synthesis protocols have been established by three major contract research organizations, with purity specifications now exceeding 99.5% deuterium incorporation.

Emerging applications in positron emission tomography (PET) tracer development were highlighted at the 2024 Society of Nuclear Medicine conference. Researchers from MIT presented a novel carbon-11 labeling approach using PROPIONYL-D5 CHLORIDE as a precursor, achieving 85% radiochemical yield for a new class of neurodegeneration biomarkers. This builds upon earlier work with the compound in fluorine-18 labeling chemistry published in Nuclear Medicine and Biology.

From a commercial perspective, the global market for PROPIONYL-D5 CHLORIDE is projected to grow at 12.4% CAGR through 2030 (MarketsandMarkets 2024 report), driven by increasing demand in metabolic flux analysis and fragment-based drug design. Current price benchmarks range from $1,200-$1,800 per gram at research quantities, with lead times from specialty suppliers averaging 4-6 weeks due to complex purification requirements.

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