Cas no 519056-54-3 (Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate)

Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate is a pyrazole-based ester compound with a molecular formula of C12H20N2O2. It features a tert-butyl group at the 1-position and a methyl substituent at the 5-position of the pyrazole ring, enhancing its steric and electronic properties. The ethyl ester moiety at the 3-position improves solubility in organic solvents, making it suitable for synthetic applications. This compound serves as a versatile intermediate in medicinal chemistry and agrochemical synthesis, particularly for the development of heterocyclic derivatives. Its stable tert-butyl group contributes to increased thermal and chemical stability, while the pyrazole core offers potential for further functionalization. The compound is commonly utilized in research settings for constructing pharmacologically active scaffolds.
Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate structure
519056-54-3 structure
Product Name:Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate
CAS No:519056-54-3
MF:C11H18N2O2
MW:210.272822856903
MDL:MFCD01313625
CID:841186
Update Time:2026-04-29

Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 1-(tert-butyl)-5-methyl-1H-pyrazole-3-carboxylate
    • Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate
    • ethyl 1-tert-butyl-5-methylpyrazole-3-carboxylate
    • MDL: MFCD01313625
    • Inchi: InChI=1S/C11H18N2O2/c1-6-15-10(14)9-7-8(2)13(12-9)11(3,4)5/h7H,6H2,1-5H3
    • InChI Key: GLXLMRLPFQWBGW-UHFFFAOYSA-N
    • SMILES: CCOC(=O)C1=NN(C(=C1)C)C(C)(C)C

Computed Properties

  • Exact Mass: 210.13700
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4

Experimental Properties

  • Boiling Point: 130/15mm
  • PSA: 44.12000
  • LogP: 2.12320

Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate Security Information

  • Hazard Statement: Harmful
  • HazardClass:IRRITANT

Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate 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%

Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate Pricemore >>

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Additional information on Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate

Comprehensive Overview of Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate (CAS No. 519056-54-3)

Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate (CAS No. 519056-54-3) is a specialized organic compound belonging to the pyrazole family, a class of heterocyclic compounds widely utilized in pharmaceuticals, agrochemicals, and material science. With its unique molecular structure featuring a tert-butyl group and an ethyl ester moiety, this compound has garnered significant attention for its potential applications in drug discovery and fine chemical synthesis. Researchers and industry professionals frequently search for terms like "pyrazole derivatives," "ester functionalization," and "CAS 519056-54-3 applications," reflecting its relevance in modern chemistry.

The compound's 1-tert-butyl-5-methyl-1H-pyrazole core is particularly noteworthy for its steric and electronic properties, which influence reactivity and binding affinity in molecular interactions. Recent trends in green chemistry and sustainable synthesis have spurred interest in optimizing its production methods, with queries such as "eco-friendly synthesis of pyrazole carboxylates" gaining traction. Analytical techniques like NMR spectroscopy and HPLC purity analysis are critical for characterizing this compound, as highlighted by frequent searches for "519056-54-3 spectral data."

In the context of drug development, Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate serves as a versatile intermediate for constructing biologically active molecules. Its carboxylate group enables further derivatization, making it a valuable scaffold for medicinal chemistry projects. Online discussions often revolve around "pyrazole-based kinase inhibitors" or "modulating metabolic stability," underscoring its role in addressing challenges like drug bioavailability.

Beyond pharmaceuticals, this compound finds utility in agrochemical research, where its structural motifs contribute to the design of novel pesticides and herbicides. Searches for "pyrazole agrochemicals" and "519056-54-3 patent literature" reflect industry demand for innovative solutions in crop protection. Additionally, its thermal stability and compatibility with polymer matrices have sparked exploration in material science, particularly for high-performance coatings.

Regulatory compliance and safety data for CAS 519056-54-3 are frequently queried topics, emphasizing the need for transparent handling guidelines. While not classified as hazardous, proper laboratory practices are essential, as with all fine chemicals. The compound's storage conditions (typically under inert atmosphere) and shelf-life are practical concerns for end-users, often addressed in technical documentation.

Innovations in catalytic synthesis and flow chemistry have recently been applied to optimize the production of Ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate, aligning with the broader shift toward process intensification. These advancements respond to search trends like "cost-effective pyrazole manufacturing" and "continuous flow routes for heterocycles," demonstrating how industrial needs drive methodological improvements.

In summary, 519056-54-3 represents a multifaceted compound bridging academic research and industrial applications. Its enduring relevance is evidenced by persistent inquiries into "pyrazole carboxylate reactivity" and "structure-activity relationships," ensuring its place as a subject of ongoing scientific inquiry and innovation.

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