Cas no 142890-12-8 (methyl 2-(1H-pyrazol-1-yl)acetate)

Methyl 2-(1H-pyrazol-1-yl)acetate is a versatile chemical intermediate used in organic synthesis and pharmaceutical applications. Its pyrazole moiety offers reactivity for constructing heterocyclic compounds, while the ester group provides a handle for further functionalization. This compound is valued for its stability under standard conditions and compatibility with a range of reaction conditions, including nucleophilic substitutions and metal-catalyzed couplings. Its well-defined structure makes it suitable for precise molecular design, particularly in the development of agrochemicals and bioactive molecules. The product is typically supplied with high purity, ensuring consistent performance in synthetic workflows. Proper handling requires standard laboratory precautions due to its organic ester nature.
methyl 2-(1H-pyrazol-1-yl)acetate structure
142890-12-8 structure
Product Name:methyl 2-(1H-pyrazol-1-yl)acetate
CAS No:142890-12-8
MF:C6H8N2O2
MW:140.139921188354
MDL:MFCD02029025
CID:857814
PubChem ID:19622700
Update Time:2025-06-28

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

Names and Identifiers

    • METHYL 2-(1H-PYRAZOL-1-YL)ACETATE
    • AKOS B030300
    • methyl 2-pyrazol-1-ylacetate
    • 142890-12-8
    • METHYL2-(1H-PYRAZOL-1-YL)ACETATE
    • Methyl 2-(1H-pyrazol-1-yl)acetate, AldrichCPR
    • F2183-1352
    • VS-09287
    • Methyl (1H-pyrazol-1-yl)acetate
    • SCHEMBL9206601
    • BBL029540
    • AKOS000313623
    • STK351190
    • CS-0207304
    • methyl 1H-pyrazol-1-ylacetate
    • METHYL 2-(PYRAZOL-1-YL)ACETATE
    • F83019
    • DTXSID70599138
    • EN300-230946
    • MFCD02029025
    • methyl 2-(1H-pyrazol-1-yl)acetate
    • MDL: MFCD02029025
    • Inchi: 1S/C6H8N2O2/c1-10-6(9)5-8-4-2-3-7-8/h2-4H,5H2,1H3
    • InChI Key: WJUHYXHQRFJCBI-UHFFFAOYSA-N
    • SMILES: O(C)C(CN1C=CC=N1)=O

Computed Properties

  • Exact Mass: 140.05900
  • Monoisotopic Mass: 140.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 127
  • 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: 0.3
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • PSA: 44.12000
  • LogP: 0.05610

methyl 2-(1H-pyrazol-1-yl)acetate Customs Data

  • HS CODE:2933199090
  • Customs Data:

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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

Methyl 2-(1H-pyrazol-1-yl)acetate (CAS No. 142890-12-8): A Versatile Intermediate in Modern Pharmaceutical Synthesis

Methyl 2-(1H-pyrazol-1-yl)acetate, identified by its chemical identifier CAS No. 142890-12-8, is a significant compound in the realm of pharmaceutical chemistry. This ester derivative of pyrazole has garnered attention due to its versatile applications as an intermediate in the synthesis of various bioactive molecules. The compound's unique structural framework, featuring a pyrazole ring linked to an acetic acid methyl ester moiety, makes it a valuable building block for medicinal chemists exploring novel therapeutic agents.

The pyrazole core is a heterocyclic aromatic compound known for its broad spectrum of biological activities. It serves as a privileged scaffold in drug design, exhibiting properties that make it conducive for further functionalization. In particular, the presence of the 1H-pyrazol-1-yl group provides a reactive site for chemical modifications, enabling the creation of complex molecular structures with potential pharmacological relevance.

Recent advancements in synthetic methodologies have highlighted the utility of Methyl 2-(1H-pyrazol-1-yl)acetate in the development of novel drugs. Researchers have leveraged its reactivity to construct intricate molecular architectures, which are being investigated for their efficacy against various diseases. For instance, studies have demonstrated its role in generating derivatives with anti-inflammatory, antimicrobial, and anticancer properties. The compound's ability to undergo diverse chemical transformations makes it an indispensable tool in the pharmaceutical industry.

In the context of drug discovery, the synthesis of Methyl 2-(1H-pyrazol-1-yl)acetate has been optimized to enhance yield and purity. Modern techniques such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions have been employed to streamline its production. These methods not only improve efficiency but also minimize environmental impact, aligning with the growing emphasis on sustainable chemistry practices.

The pharmacological potential of derivatives derived from Methyl 2-(1H-pyrazol-1-yl)acetate has been extensively explored in recent years. For example, researchers have synthesized analogs that exhibit potent inhibitory effects on enzymes implicated in metabolic disorders. Additionally, derivatives of this compound have shown promise in preclinical studies as modulators of signaling pathways associated with neurodegenerative diseases. These findings underscore the importance of Methyl 2-(1H-pyrazol-1-yl)acetate as a precursor in the quest for innovative therapeutic solutions.

The structural versatility of Methyl 2-(1H-pyrazol-1-yl)acetate allows for the introduction of various functional groups, enabling the creation of a diverse library of compounds for high-throughput screening. This approach has been instrumental in identifying lead candidates with favorable pharmacokinetic profiles. The compound's compatibility with modern synthetic strategies ensures that it remains a cornerstone in medicinal chemistry research.

As interest in targeted therapies grows, Methyl 2-(1H-pyrazol-1-yl)acetate continues to play a pivotal role in the development of small-molecule drugs. Its incorporation into drug candidates has led to improved binding affinity and selectivity, critical factors for effective therapeutic intervention. The compound's adaptability to different chemical frameworks underscores its significance as a versatile intermediate in pharmaceutical synthesis.

The future prospects of Methyl 2-(1H-pyrazol-1-yl)acetate are promising, with ongoing research aimed at uncovering new applications and optimizing its synthetic pathways. Collaborative efforts between academia and industry are expected to yield innovative derivatives with enhanced therapeutic potential. As synthetic methodologies evolve, the accessibility and utility of this compound are likely to expand further.

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