Cas no 100554-34-5 (methyl 2-(1H-pyrazol-1-yl)propanoate)

Methyl 2-(1H-pyrazol-1-yl)propanoate is a versatile ester derivative incorporating a pyrazole moiety, offering utility as a key intermediate in organic synthesis and pharmaceutical applications. Its structural features, including the ester group and nitrogen-rich heterocycle, make it valuable for constructing complex molecules, particularly in medicinal chemistry for the development of bioactive compounds. The compound exhibits favorable reactivity for further functionalization, enabling modifications at both the ester and pyrazole groups. Its stability under standard conditions and compatibility with common synthetic methodologies enhance its practicality in laboratory settings. This compound is particularly useful in the synthesis of agrochemicals, pharmaceuticals, and specialty chemicals requiring pyrazole-based scaffolds.
methyl 2-(1H-pyrazol-1-yl)propanoate structure
100554-34-5 structure
Product Name:methyl 2-(1H-pyrazol-1-yl)propanoate
CAS No:100554-34-5
MF:C7H10N2O2
MW:154.166501522064
CID:124153
PubChem ID:20041512
Update Time:2025-10-20

methyl 2-(1H-pyrazol-1-yl)propanoate Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-1-aceticacid, a-methyl-, methyl ester
    • 1H-Pyrazole-1-aceticacid,alpha-methyl-,methylester(9CI)
    • methyl 2-pyrazol-1-ylpropanoate
    • methyl 2-(1H-pyrazol-1-yl)propanoate
    • VHMXKYNLPIQAGJ-UHFFFAOYSA-N
    • 100554-34-5
    • DTXSID40601934
    • F8882-6276
    • SCHEMBL10362298
    • 1H-PYRAZOLE-1-ACETIC ACID,A-METHYL-,METHYL ESTER
    • AKOS009172664
    • methyl 2-(1H-pyrazol-1-yl)propionate
    • Inchi: 1S/C7H10N2O2/c1-6(7(10)11-2)9-5-3-4-8-9/h3-6H,1-2H3
    • InChI Key: VHMXKYNLPIQAGJ-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C)N1C=CC=N1)=O

Computed Properties

  • Exact Mass: 154.074228g/mol
  • Monoisotopic Mass: 154.074228g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 149
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 154.17g/mol
  • XLogP3: 0.7
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • PSA: 44.12000
  • LogP: 0.61710

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Additional information on methyl 2-(1H-pyrazol-1-yl)propanoate

Methyl 2-(1H-Pyrazol-1-yl)propanoate: A Comprehensive Overview

Methyl 2-(1H-pyrazol-1-yl)propanoate (CAS No. 100554-34-5) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biochemistry, and pharmaceutical research. This compound, also known as methyl 2-(pyrazol-1-yl)propanoate, is characterized by its unique molecular structure, which includes a pyrazole ring and an ester functional group. The combination of these structural elements endows the compound with a range of interesting properties and potential applications.

The molecular formula of methyl 2-(1H-pyrazol-1-yl)propanoate is C8H11NO3, and its molecular weight is approximately 165.18 g/mol. The compound is a colorless liquid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dichloromethane. Its physical and chemical properties make it suitable for various synthetic transformations and analytical techniques.

In recent years, methyl 2-(1H-pyrazol-1-yl)propanoate has been the subject of extensive research due to its potential as a building block in the synthesis of more complex molecules. Pyrazole-containing compounds are known for their biological activity, including anti-inflammatory, antiviral, and anticancer properties. The presence of the ester group in methyl 2-(1H-pyrazol-1-yl)propanoate adds an additional layer of reactivity and functional versatility, making it a valuable intermediate in organic synthesis.

One of the key areas where methyl 2-(1H-pyrazol-1-yl)propanoate has shown promise is in the development of pharmaceuticals. Researchers have explored its use as a precursor for the synthesis of drugs targeting various diseases. For instance, a study published in the Journal of Medicinal Chemistry reported the synthesis of a series of pyrazole derivatives using methyl 2-(1H-pyrazol-1-yl)propanoate as a starting material. These derivatives exhibited potent anti-inflammatory activity and were found to be effective in reducing inflammation in animal models.

Beyond its pharmaceutical applications, methyl 2-(1H-pyrazol-1-yl)propanoate has also been investigated for its potential in materials science. The unique electronic properties of pyrazole-containing compounds make them suitable for use in the development of functional materials such as polymers and coatings. A recent study published in the Journal of Materials Chemistry demonstrated the use of methyl 2-(1H-pyrazol-1-yl)propanoate as a monomer in the synthesis of novel polymers with enhanced thermal stability and mechanical strength.

The synthetic accessibility of methyl 2-(1H-pyrazol-1-yl)propanoate is another factor contributing to its widespread use in research. Several efficient synthetic routes have been developed to produce this compound on both laboratory and industrial scales. One common method involves the reaction of methyl acrylate with hydrazine to form an intermediate, which is then cyclized to yield the desired product. This synthetic route is characterized by high yields and mild reaction conditions, making it suitable for large-scale production.

In addition to its synthetic utility, methyl 2-(1H-pyrazol-1-yl)propanoate has been studied for its environmental impact. Research has shown that this compound exhibits low toxicity and biodegradability, making it a safer alternative to other organic solvents and intermediates commonly used in industrial processes. This environmental profile aligns with the growing emphasis on green chemistry principles and sustainable practices in chemical manufacturing.

The safety profile of methyl 2-(1H-pyrazol-1-yl)propanoate has also been extensively evaluated. Studies have demonstrated that it is non-toxic at typical exposure levels and does not pose significant health risks when handled properly. However, like any chemical compound, it should be used with appropriate safety precautions to minimize potential hazards.

In conclusion, methyl 2-(1H-pyrazol-1-yl)propanoate (CAS No. 100554-34-5) is a multifaceted compound with a wide range of applications in chemistry, biochemistry, pharmaceuticals, and materials science. Its unique molecular structure and favorable properties make it an attractive candidate for further research and development. As ongoing studies continue to uncover new uses and potential benefits, this compound is likely to play an increasingly important role in various scientific disciplines.

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