Cas no 1189981-54-1 (MONO-ETHYL MALONATE-1,2,3-13C3)

MONO-ETHYL MALONATE-1,2,3-13C3 is a stable isotope-labeled compound used as a key intermediate in organic synthesis and metabolic research. The incorporation of 13C at all three carbon positions enhances its utility in NMR spectroscopy and mass spectrometry, providing precise tracking in isotopic labeling studies. Its high isotopic purity ensures minimal interference in analytical applications. This compound is particularly valuable in pharmaceutical research, where it aids in elucidating metabolic pathways and reaction mechanisms. The ethyl ester group offers improved solubility and reactivity compared to the free acid form, facilitating its use in esterification and condensation reactions under mild conditions.
MONO-ETHYL MALONATE-1,2,3-13C3 structure
1189981-54-1 structure
Product Name:MONO-ETHYL MALONATE-1,2,3-13C3
CAS No:1189981-54-1
MF:C5H8O4
MW:135.092586517334
CID:824427
Update Time:2025-11-02

MONO-ETHYL MALONATE-1,2,3-13C3 Chemical and Physical Properties

Names and Identifiers

    • MONO-ETHYL MALONATE-1,2,3-13C3
    • 3-ethoxy-3-oxopropanoic acid
    • Inchi: 1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7)/i3+1,4+1,5+1
    • InChI Key: HGINADPHJQTSKN-FRSWOAELSA-N
    • SMILES: O([13C]([13CH2][13C](=O)O)=O)CC

Computed Properties

  • Exact Mass: 135.05200

Experimental Properties

  • Boiling Point: 106.5°C@3mmHg
  • PSA: 63.60000
  • LogP: 0.02420

MONO-ETHYL MALONATE-1,2,3-13C3 Pricemore >>

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Additional information on MONO-ETHYL MALONATE-1,2,3-13C3

Comprehensive Guide to MONO-ETHYL MALONATE-1,2,3-13C3 (CAS No. 1189981-54-1): Properties, Applications, and Market Insights

MONO-ETHYL MALONATE-1,2,3-13C3 (CAS No. 1189981-54-1) is a stable isotope-labeled derivative of mono-ethyl malonate, where the carbon atoms at positions 1, 2, and 3 are replaced with the carbon-13 (13C) isotope. This compound is widely used in nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and metabolic research due to its ability to provide precise molecular tracking. The growing demand for isotope-labeled compounds in pharmaceutical and biochemical research has made MONO-ETHYL MALONATE-1,2,3-13C3 a critical reagent in modern laboratories.

The chemical structure of MONO-ETHYL MALONATE-1,2,3-13C3 consists of a malonate backbone with an ethyl ester group and three 13C-labeled carbons. This labeling enhances detection sensitivity in analytical techniques, making it invaluable for drug metabolism studies and tracer experiments. Researchers frequently search for "13C-labeled malonate derivatives" or "isotopic labeling in metabolic pathways" to understand how this compound aids in tracking biochemical reactions.

One of the most common applications of MONO-ETHYL MALONATE-1,2,3-13C3 is in NMR-based metabolomics, where it serves as an internal standard for quantifying metabolic intermediates. The rise of precision medicine and personalized therapeutics has further increased its relevance, as scientists explore how isotopic labeling can improve diagnostic accuracy. Keywords such as "NMR tracer compounds" and "stable isotope applications in biomedicine" reflect current trends in scientific literature.

In addition to its role in research, MONO-ETHYL MALONATE-1,2,3-13C3 is also used in the synthesis of isotope-labeled pharmaceuticals. Pharmaceutical companies leverage this compound to develop drugs with improved pharmacokinetic profiling. Searches for "13C-labeled drug intermediates" and "isotopic synthesis techniques" highlight the industry's interest in optimizing drug development processes using labeled compounds.

The market for MONO-ETHYL MALONATE-1,2,3-13C3 is expanding due to advancements in analytical chemistry and life sciences. With increasing investments in biomedical research and diagnostic technologies, the demand for high-purity isotope-labeled reagents is expected to grow. Industry reports often cite "stable isotope market trends" and "growth in metabolomics research" as key drivers for this segment.

Quality control is paramount when working with MONO-ETHYL MALONATE-1,2,3-13C3, as impurities can affect experimental outcomes. Laboratories prioritize suppliers who provide high-purity isotopic compounds with detailed certificates of analysis (CoA). Common queries include "purity standards for 13C-labeled compounds" and "handling protocols for isotopic reagents," underscoring the need for reliable sourcing and proper storage conditions.

Environmental and safety considerations are also critical when using MONO-ETHYL MALONATE-1,2,3-13C3. While it is not classified as hazardous, proper laboratory safety practices must be followed. Researchers often look for "safe handling of isotopic chemicals" and "disposal methods for labeled compounds" to ensure compliance with regulatory guidelines.

Future research directions for MONO-ETHYL MALONATE-1,2,3-13C3 include its potential use in fluxomics, a field that studies metabolic reaction rates. The integration of AI-driven data analysis in metabolomics could further enhance its applications, as seen in searches for "machine learning in isotope tracing" and "automated metabolic pathway mapping."

In summary, MONO-ETHYL MALONATE-1,2,3-13C3 (CAS No. 1189981-54-1) is a versatile and essential tool in modern scientific research. Its applications span NMR spectroscopy, drug development, and metabolomics, driven by the increasing need for isotopic precision in biochemical studies. As technology advances, this compound will continue to play a pivotal role in unlocking new discoveries in life sciences and pharmaceutical innovation.

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