Cas no 371212-60-1 (2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid)

2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid structure
371212-60-1 structure
Product Name:2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CAS No:371212-60-1
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD02732635
CID:4650055
PubChem ID:3137773
Update Time:2025-07-26

2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
    • MDL: MFCD02732635
    • Inchi: 1S/C8H12N2O2/c1-6(8(11)12)5-10-4-3-7(2)9-10/h3-4,6H,5H2,1-2H3,(H,11,12)
    • InChI Key: ARJKQIWTIXNRAC-UHFFFAOYSA-N
    • SMILES: OC(C(C)CN1C=CC(C)=N1)=O

2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi Xn
  • HazardClass:IRRITANT

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Additional information on 2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid

Comprehensive Overview of 2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid (CAS No. 371212-60-1)

The compound 2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid (CAS No. 371212-60-1) is a specialized organic molecule that has garnered significant attention in pharmaceutical and agrochemical research. Its unique structure, featuring a pyrazole ring and a propanoic acid moiety, makes it a versatile intermediate in the synthesis of bioactive compounds. Researchers are increasingly exploring its potential applications in drug discovery, particularly in targeting enzymes and receptors associated with inflammatory diseases and metabolic disorders.

One of the most searched questions related to this compound is: "What are the synthetic routes for 2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid?" The synthesis typically involves the condensation of 3-methyl-1H-pyrazole with 2-methylacrylic acid derivatives, followed by catalytic hydrogenation or other functional group transformations. Recent advancements in green chemistry have also led to more sustainable methods, such as microwave-assisted synthesis, which reduces reaction times and improves yields.

The pharmacological properties of 2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid are another hot topic among researchers. Its pyrazole core is known to interact with various biological targets, including COX-2 enzymes and G-protein-coupled receptors, making it a candidate for anti-inflammatory and analgesic drug development. Additionally, its carboxylic acid group enhances solubility, which is critical for bioavailability in drug formulations.

In the agrochemical sector, this compound is being investigated for its potential as a plant growth regulator or pesticide intermediate. The 3-methyl-1H-pyrazol-1-yl group can mimic natural plant hormones, offering a pathway to develop eco-friendly crop protection agents. With the growing demand for sustainable agriculture, this application aligns perfectly with current trends in green agrochemicals.

From a computational chemistry perspective, 2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid has been modeled extensively to predict its molecular docking behavior and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) profiles. These studies are crucial for optimizing its use in drug design and minimizing potential side effects. Tools like density functional theory (DFT) and molecular dynamics simulations are frequently employed to explore its electronic properties and reactivity.

The compound's spectroscopic characterization, including NMR, IR, and mass spectrometry data, is well-documented in scientific literature. These techniques are essential for quality control and ensuring the purity of 2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid in industrial and research settings. Recent studies have also highlighted its stability under various pH conditions, which is vital for formulation development.

Another frequently searched query is: "Where to buy 2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid?" The compound is available through several specialized chemical suppliers, often listed under its CAS number 371212-60-1. However, researchers are advised to verify the supplier's credentials and request certificates of analysis (CoA) to ensure compliance with their experimental requirements.

In conclusion, 2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid (CAS No. 371212-60-1) is a multifaceted compound with broad applications in pharmaceuticals, agrochemicals, and material science. Its unique structural features and bioactive potential continue to drive innovation across multiple scientific disciplines. As research progresses, this compound is likely to play an even more prominent role in addressing global challenges in health and sustainability.

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