Cas no 1170943-03-9 (3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid)

3-4-(Methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid is a versatile intermediate in organic synthesis, particularly valued for its pyrazole core and functionalized propanoic acid side chain. The methoxycarbonyl group enhances reactivity, facilitating further derivatization, while the carboxylic acid moiety offers opportunities for conjugation or salt formation. This compound is useful in pharmaceutical and agrochemical research, where pyrazole derivatives are known for their bioactivity. Its structural features allow for precise modifications, making it a valuable building block in the development of novel compounds. The product exhibits good stability under standard conditions, ensuring reliable performance in synthetic applications.
3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid structure
1170943-03-9 structure
Product Name:3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid
CAS No:1170943-03-9
MF:C8H10N2O4
MW:198.176002025604
MDL:MFCD09701618
CID:3159132
PubChem ID:25247727
Update Time:2025-05-19

3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-[4-(methoxycarbonyl)-1H-pyrazol-1-yl]propanoic acid
    • 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid
    • 3-(4-(Methoxycarbonyl)-1H-pyrazol-1-yl)propanoic acid
    • AKOS005167986
    • G50214
    • 3-(4-methoxycarbonylpyrazol-1-yl)propanoic acid
    • 1170943-03-9
    • 3-(4-(Methoxycarbonyl)-1H-pyrazol-1-yl)propanoicacid
    • VWB94303
    • EN300-92634
    • 3-[4-(methoxycarbonyl)pyrazol-1-yl]propanoic acid
    • STK352006
    • MFCD09701618
    • MDL: MFCD09701618
    • Inchi: 1S/C8H10N2O4/c1-14-8(13)6-4-9-10(5-6)3-2-7(11)12/h4-5H,2-3H2,1H3,(H,11,12)
    • InChI Key: SENZCXFSSJRDPT-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=NN(C=1)CCC(=O)O)=O

Computed Properties

  • Exact Mass: 198.06405680Da
  • Monoisotopic Mass: 198.06405680Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 231
  • 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: -0.5
  • Topological Polar Surface Area: 81.4?2

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3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid Related Literature

Additional information on 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid

Comprehensive Overview of 3-4-(Methoxycarbonyl)-1H-pyrazol-1-ylpropanoic Acid (CAS No. 1170943-03-9): Properties, Applications, and Market Insights

3-4-(Methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid (CAS No. 1170943-03-9) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This pyrazole derivative is characterized by its unique molecular structure, which combines a methoxycarbonyl group and a propanoic acid moiety, making it a versatile intermediate in synthetic chemistry. Researchers and industry professionals are increasingly interested in this compound due to its potential applications in drug discovery and crop protection formulations.

The chemical properties of 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid make it particularly valuable in medicinal chemistry. Its molecular weight of 214.19 g/mol and specific structural features allow for diverse modifications, enabling the creation of novel bioactive molecules. Recent studies have explored its role as a building block for kinase inhibitors, a hot topic in cancer research, as well as its potential in developing anti-inflammatory agents. The compound's balanced lipophilicity, demonstrated by its calculated LogP value, contributes to its favorable pharmacokinetic properties when incorporated into larger molecular frameworks.

In the agrochemical sector, 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid has shown promise as a precursor for next-generation pesticides. The pyrazole ring system is known for its herbicidal and insecticidal activities, and researchers are investigating how modifications of this core structure can lead to more environmentally friendly crop protection solutions. This aligns with current market demands for sustainable agriculture chemicals that maintain efficacy while reducing ecological impact.

The synthesis of 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid typically involves multi-step organic reactions, with careful control of reaction conditions to ensure high purity and yield. Process chemists have developed optimized protocols that minimize byproduct formation, making the compound increasingly accessible for research and development purposes. Analytical characterization techniques such as HPLC, NMR spectroscopy, and mass spectrometry are routinely employed to verify the identity and purity of this important intermediate.

Market analysis indicates growing demand for specialty chemical intermediates like 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid, particularly in the Asia-Pacific region where pharmaceutical innovation is accelerating. Suppliers are responding to this demand by scaling up production while maintaining strict quality control standards. The compound's price point and availability have become more competitive as manufacturing processes become more efficient, opening new opportunities for its application in various research programs.

From a regulatory perspective, 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid is generally classified as a research chemical, with specific handling requirements depending on jurisdiction. Researchers should consult relevant chemical safety data sheets and local regulations before working with this material. Proper storage conditions, typically in a cool, dry environment protected from light, help maintain the compound's stability over extended periods.

The future outlook for 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid appears promising, with several patent applications highlighting its utility in novel therapeutic approaches. Particularly in the field of targeted drug delivery systems, the compound's functional groups offer multiple sites for conjugation with drug molecules or targeting ligands. This aligns with current trends in personalized medicine and the development of more precise pharmaceutical interventions with reduced side effects.

Academic and industrial laboratories continue to explore new synthetic methodologies involving 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid, with recent publications demonstrating its use in click chemistry applications and metal-organic framework construction. These cutting-edge applications position the compound at the forefront of materials science innovation, potentially leading to breakthroughs in catalysis and molecular recognition technologies.

For researchers considering working with 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid, it's important to note that while the compound itself has demonstrated stability under standard laboratory conditions, its ester group may be susceptible to hydrolysis under strongly acidic or basic conditions. This reactivity can be strategically employed in synthetic schemes but requires careful consideration when designing reaction sequences. The growing body of literature documenting successful applications of this compound serves as a valuable resource for planning new research initiatives.

As the scientific community's understanding of pyrazole chemistry deepens, 3-4-(methoxycarbonyl)-1H-pyrazol-1-ylpropanoic acid is likely to play an increasingly important role in both academic research and industrial applications. Its combination of synthetic accessibility and structural versatility makes it an attractive building block for addressing current challenges in medicinal chemistry and material science. Ongoing research will undoubtedly uncover new applications for this interesting compound in the coming years.

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