1-Adamantane-d15-carboxylic acid | CAS 33830-12-5

OVERVIEW  of  1-Adamantane-d15-carboxylic acid | CAS 33830-12-5

1-Adamantane-d₁₅-carboxylic acid is a fully deuterated carboxylic acid derivative of adamantane, a highly rigid, cage-like tricyclic hydrocarbon widely used in analytical chemistry, materials science, and organic synthesis. In this isotopically labeled form, fifteen hydrogen atoms of the parent adamantane ring are replaced with deuterium. This extensive isotopic enrichment provides a substantial and clearly distinguishable mass shift while maintaining the inherent chemical and structural stability characteristic of the adamantane framework.

This compound is especially valuable as an internal standard for mass spectrometry, a structural probe in mechanistic studies, and a reference material in research involving adamantane derivatives, diamondoid compounds, pharmaceuticals, and polymer additives. Due to its exceptional thermal and chemical robustness, 1-Adamantane-d₁₅-carboxylic acid is well suited for demanding analytical workflows.

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CHEMICAL INFORMATION

• Name:1-Adamantane-d₁₅-carboxylic acid

• CAS Number: 33830-12-5

• Molecular Formula: C₁₁H₁D₁₅O₂

• Molecular Weight: ~188–190 g/mol (varies slightly depending on isotopic distribution)

• Isotopic Enrichment: Typically ≥98% D

• Chemical Class: Deuterated carboxylic acid; diamondoid derivative

• Stability: Highly stable under thermal, acidic, and neutral conditions due to the rigid adamantane core

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APPLICATIONS  of  1-Adamantane-d15-carboxylic acid | CAS 33830-12-5
1-Adamantane-d₁₅-carboxylic acid is used widely across analytical sciences, materials research, and organic chemistry:

• Internal Standard for GC-MS and LC-MS:
  The high deuterium content provides a strong mass separation from non-labeled analogues, making it ideal for quantifying adamantane derivatives, carboxylic acids, additives, and hydrophobic analytes in complex matrices.

• Reference Material for Quality Control:
  Used in calibration of chromatographic methods, instrument validation, and analytical standardization where precise quantification of adamantane derivatives is required.

• Diamondoid and Hydrocarbon Research:
  Supports studies involving molecular structure, cage-hydrocarbon reactivity, and the behavior of rigid frameworks in thermal and catalytic systems.

• Organic Synthesis and Mechanistic Investigations:
  The extensively deuterated core allows detailed examination of reaction mechanisms, isotope effects, hydrogen–deuterium exchange patterns, and rearrangements.

• Pharmaceutical and Drug Metabolism Studies:
  Used to track adamantane-based pharmaceutical structures (e.g., amantadine derivatives) through metabolic or degradation pathways.

• Environmental and Material Degradation Analysis:
  Helps monitor environmental fate and breakdown of adamantane-related hydrocarbons and industrial additives, particularly in polymer or petrochemical contexts.

• Isotope Dilution Assays:
  Enables highly accurate quantification owing to its chemical similarity yet distinct mass signature compared to native compounds.

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ADVANTAGES  of  1-Adamantane-d15-carboxylic acid | CAS 33830-12-5

• High Deuterium Loading (15 D):
  Offers a large and unequivocal mass shift that enhances analytical clarity in mass spectrometry.

• Exceptional Structural Stability:
  The adamantane cage provides excellent resistance to heat, oxidation, and chemical degradation, ensuring long shelf life and analytical reliability.

• Minimal Isotopic Scrambling:
  Deuterium atoms are tightly incorporated into a rigid hydrocarbon framework, reducing risk of unwanted exchange reactions.

• Versatile Compatibility:
  Suitable for LC-MS, GC-MS (after derivatization if needed), NMR studies, combustion analysis, and mechanistic experiments.

• Ideal for High-Precision Quantification:
  Enhances reproducibility and accuracy in both trace-level and high-concentration analyses.

• Useful Across Multiple Industries:
  Beneficial in petrochemical research, pharmaceuticals, polymer science, environmental monitoring, and academic mechanistic studies.

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SUMMARY
1-Adamantane-d₁₅-carboxylic acid is a highly stable, fully deuterium-enriched derivative of adamantane tailored for advanced analytical, environmental, and synthetic applications. Its rigid, cage-like molecular structure combined with extensive isotopic labeling makes it an exceptional internal standard and reference material for mass spectrometry. The compound’s chemical resilience, clear mass differentiation, and versatile compatibility allow researchers to obtain highly accurate and reproducible analytical results. Whether used for calibration, mechanistic investigation, method validation, or environmental monitoring, 1-Adamantane-d₁₅-carboxylic acid delivers reliability and performance for laboratories seeking robust isotopic standards.

 

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