Cas no 58582-98-2 (ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate)

Ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate is a pyrazole-based organic compound featuring a p-chlorophenyl substituent and an ester functional group. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceuticals and agrochemicals. The presence of the p-chlorophenyl moiety enhances lipophilicity and potential bioactivity, while the ethyl carboxylate group offers reactivity for further derivatization. Its well-defined molecular architecture makes it suitable for use in heterocyclic chemistry, enabling the synthesis of more complex scaffolds. The compound is characterized by its stability under standard conditions and compatibility with common organic solvents, facilitating its handling in laboratory settings. Its utility in medicinal chemistry research is underscored by its role in developing biologically active molecules.
ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate structure
58582-98-2 structure
Product Name:ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate
CAS No:58582-98-2
MF:C12H11ClN2O2
MW:250.680941820145
CID:948740
PubChem ID:22831657
Update Time:2025-05-26

ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate
    • 5-(4-CHLORO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    • ethyl 3-(4-chlorophenyl)pyrazolidine-4-carboxylate
    • 3-(4-chloro-phenyl)-1(2)H-pyrazole-4-carboxylic acid ethyl ester
    • 3-(4-Chlorphenyl)-4-ethoxycarbonyl-pyrazol
    • TQP1130
    • MFCD07357444
    • ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
    • Ethyl 3-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
    • 4-chloro-phenyl-4-ethoxycarbonyl-pyrazole
    • DGCNYRAFLBXEPV-UHFFFAOYSA-N
    • 58582-98-2
    • DB-319574
    • Inchi: 1S/C12H11ClN2O2/c1-2-17-12(16)10-7-14-15-11(10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15)
    • InChI Key: DGCNYRAFLBXEPV-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1=C(C(=O)OCC)C=NN1

Computed Properties

  • Exact Mass: 250.05100
  • Monoisotopic Mass: 250.0509053g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 267
  • 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: 2.7
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 450.9±35.0 °C at 760 mmHg
  • Flash Point: 226.5±25.9 °C
  • PSA: 54.98000
  • LogP: 2.90680
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate Security Information

ethyl-3-(p-chlorophenyl)-4-pyrazole 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-3-(p-chlorophenyl)-4-pyrazole carboxylate Pricemore >>

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abcr
AB424194-1g
Ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate; .
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Additional information on ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate

Comprehensive Analysis of Ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate (CAS No. 58582-98-2): Properties, Applications, and Industry Trends

Ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate (CAS No. 58582-98-2) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This pyrazole derivative features a p-chlorophenyl group and an ethyl carboxylate moiety, making it a versatile intermediate for synthesizing bioactive molecules. Its molecular structure (C12H11ClN2O2) and unique functional groups contribute to its wide applicability in modern chemistry.

Recent studies highlight the growing demand for heterocyclic compounds like ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate due to their role in developing novel crop protection agents and pharmaceutical intermediates. Industry reports indicate a 12% annual growth in the pyrazole-based chemicals market, driven by the need for sustainable agrochemicals and targeted drug delivery systems. Researchers are particularly interested in its potential as a building block for non-steroidal anti-inflammatory drugs (NSAIDs) and anticancer agents.

The synthesis of CAS 58582-98-2 typically involves condensation reactions between hydrazine derivatives and β-keto esters, followed by chlorophenyl incorporation. Advanced purification techniques such as column chromatography ensure high purity (>98%), which is critical for pharmaceutical applications. Analytical characterization via HPLC, NMR spectroscopy, and mass spectrometry confirms its structural integrity, addressing quality concerns raised in recent FDA guidance for synthetic intermediates.

Environmental considerations have propelled research into green chemistry approaches for producing ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate. A 2023 study demonstrated a 40% reduction in solvent waste using microwave-assisted synthesis, aligning with EPA Green Chemistry Principles. This resonates with current searches for "sustainable chemical synthesis" and "eco-friendly intermediates" across scientific databases.

In agrochemical applications, CAS 58582-98-2 serves as a precursor for next-generation pesticides with lower environmental persistence. Its chlorophenyl group enhances target specificity against fungal pathogens while maintaining favorable mammalian toxicity profiles—a key focus in recent "safe pesticide formulation" discussions. Regulatory agencies increasingly favor such compounds under REACH and OECD guidelines for chemical safety.

The pharmaceutical industry leverages ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate to develop COX-2 inhibitors with improved gastrointestinal tolerance. Patent analyses reveal a 28% increase in filings involving this pyrazole core structure since 2020, particularly for chronic pain management therapies. These trends correlate with rising Google searches for "new arthritis drug mechanisms" and "non-opioid analgesics."

Quality control standards for 58582-98-2 adhere to ICH Q7 guidelines, with stringent limits on residual solvents and heavy metals. Analytical method development using UHPLC-MS/MS has become crucial, as evidenced by recent publications addressing "impurity profiling" in pharmaceutical intermediates. This aligns with industry demands for "high-purity synthetic building blocks" in drug discovery pipelines.

Emerging research explores the compound's potential in material science, particularly as a ligand for luminescent metal complexes used in OLED technologies. A 2024 Journal of Materials Chemistry paper highlighted its utility in creating blue-emitting materials, tapping into the booming "display technology innovations" market. Such interdisciplinary applications demonstrate the compound's versatility beyond traditional domains.

Storage and handling recommendations for ethyl-3-(p-chlorophenyl)-4-pyrazole carboxylate emphasize protection from moisture and oxidation. Industry best practices suggest nitrogen-purged containers at controlled temperatures (2-8°C), reflecting updated ISO storage standards for sensitive organics. These protocols address common laboratory queries about "chemical stability optimization" in research forums.

Market analysts project steady growth for CAS 58582-98-2 suppliers, with Asia-Pacific emerging as the dominant production hub. The compound's cost-effective synthesis and regulatory compliance position it favorably against alternative heterocyclic intermediates. This economic perspective responds to frequent searches for "bulk pharmaceutical raw materials" and "agrochemical sourcing trends" across B2B platforms.

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