Cas no 5744-40-1 (Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate)

Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate is a pyrazole-based ester compound with applications in organic synthesis and pharmaceutical intermediates. Its structure features a carboxylate group at the 5-position and methyl substituents at the 1- and 3-positions, enhancing stability and reactivity. This compound is valued for its versatility in heterocyclic chemistry, serving as a key building block for the development of agrochemicals, pharmaceuticals, and specialty chemicals. Its ester functionality allows for further derivatization, enabling tailored modifications for target applications. The product exhibits good solubility in common organic solvents, facilitating its use in synthetic workflows. Proper handling and storage under inert conditions are recommended to maintain purity and performance.
Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate structure
5744-40-1 structure
Product Name:Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate
CAS No:5744-40-1
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD00233452
CID:46144
PubChem ID:138576
Update Time:2025-09-28

Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate
    • Ethyl 1,3-Dimethylpyrazole-5-carboxylate
    • ethyl 2,5-dimethylpyrazole-3-carboxylate
    • 1,3-Dimethylpyrazole-5-carboxylic Acid Ethyl Ester
    • 2,5-Dimethyl-2H-pyrazole-3-carboxylic acid ethyl ester
    • ethyl 2,5-dimethyl-2h-pyrazole-3-carboxylate
    • SY021623
    • Z796916720
    • AC-28096
    • DTXSID90206054
    • A8186
    • J-520507
    • ETHYL 1,3-DIMETHYL-5-PYRAZOLECARBOXYLATE
    • AS-5385
    • AKOS003672896
    • MFCD00233452
    • 1H-PYRAZOLE-5-CARBOXYLIC ACID, 1,3-DIMETHYL-, ETHYL ESTER
    • 1,3-Dimethyl-5-pyrazolcarboxylic acid ethyl ester
    • CS-W016039
    • ethyl 1,3-dimethylpyrazole-5-carboxlate
    • SCHEMBL1894879
    • Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate, AldrichCPR
    • PB15679
    • 1,3-dimethyl-5-ethoxycarbonylpyrazole
    • 5744-40-1
    • FT-0625827
    • F2146-0643
    • BB 0220504
    • ZYSGPOXVDOROJU-UHFFFAOYSA-N
    • AM85824
    • EN300-227911
    • Ethyl 1,3-dimethyl-5-pyrazole carboxylate
    • BBL015946
    • ALBB-014301
    • STL170061
    • DB-013393
    • MDL: MFCD00233452
    • Inchi: 1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)9-10(7)3/h5H,4H2,1-3H3
    • InChI Key: ZYSGPOXVDOROJU-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CC(C)=NN1C)=O

Computed Properties

  • Exact Mass: 168.09000
  • Monoisotopic Mass: 168.089877630 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 172
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.2
  • Molecular Weight: 168.19
  • Topological Polar Surface Area: 44.1?2

Experimental Properties

  • Density: 1.33
  • Boiling Point: 90°C/5mmHg(lit.)
  • Flash Point: 110.3 °C
  • Refractive Index: 1.4790 to 1.4830
  • PSA: 44.12000
  • LogP: 0.90520

Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate Security Information

Ethyl 1,3-dimethyl-1H-pyrazole-5-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%

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Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:5744-40-1)Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate
Order Number:A8186
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:08
Price ($):629.0

Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate Related Literature

Additional information on Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate

Comprehensive Guide to Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS No. 5744-40-1): Properties, Applications, and Market Insights

Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS No. 5744-40-1) is a versatile organic compound widely used in pharmaceutical and agrochemical research. This ester derivative of pyrazole has gained significant attention due to its unique chemical properties and broad applicability. In this article, we delve into its molecular structure, synthesis methods, key applications, and emerging trends in the chemical industry.

The molecular formula of 1,3-dimethyl-1H-pyrazole-5-carboxylate ethyl ester is C8H12N2O2, with a molecular weight of 168.19 g/mol. Its structure features a pyrazole ring substituted with methyl groups at positions 1 and 3, while position 5 bears an ethyl ester functional group. This specific arrangement contributes to its stability and reactivity, making it valuable for various synthetic transformations.

Researchers frequently search for "synthesis of Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate" as it serves as a crucial intermediate in medicinal chemistry. The compound can be prepared through condensation reactions between hydrazine derivatives and β-keto esters, followed by alkylation steps. Recent advancements in green chemistry have led to more efficient synthetic routes with improved yields and reduced environmental impact.

In pharmaceutical applications, Ethyl 1,3-dimethylpyrazole-5-carboxylate acts as a building block for drug discovery. Its structural motif appears in several biologically active compounds, including potential anti-inflammatory and antimicrobial agents. The pharmaceutical industry's growing interest in heterocyclic compounds has increased demand for this pyrazole derivative.

The agrochemical sector utilizes 5744-40-1 CAS registered compound in developing novel crop protection agents. Its pyrazole core structure is particularly valuable for creating pesticides with improved selectivity and reduced environmental persistence. Recent studies highlight its potential in addressing challenges related to pest resistance and sustainable agriculture.

Market analysis reveals steady growth in the 1,3-dimethyl-1H-pyrazole-5-carboxylic acid ethyl ester segment, driven by expanding research in life sciences and material chemistry. Manufacturers are responding to increased demand by optimizing production processes and ensuring consistent quality standards. The compound's global market is projected to grow at a CAGR of 5-7% over the next five years.

Quality control of Ethyl 1,3-dimethyl-1H-pyrazole carboxylate involves rigorous analytical techniques including HPLC, GC-MS, and NMR spectroscopy. Purity specifications typically exceed 98%, with strict limits on residual solvents and by-products. These quality parameters are critical for research and industrial applications where reproducibility is essential.

Storage and handling recommendations for pyrazole-5-carboxylate ethyl derivative emphasize protection from moisture and extreme temperatures. The compound should be stored in airtight containers under inert atmosphere when long-term stability is required. Proper handling procedures ensure both user safety and material integrity.

Emerging research explores novel derivatives of Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate for advanced materials applications. Scientists are investigating its potential in organic electronics, coordination chemistry, and as a ligand in catalytic systems. These developments align with current trends in sustainable chemistry and functional materials design.

Environmental considerations for CAS 5744-40-1 compound include biodegradability studies and ecological impact assessments. Regulatory compliance varies by region, with most jurisdictions classifying it as a research chemical with specific handling guidelines. Responsible disposal methods are recommended to minimize environmental footprint.

Frequently asked questions about 1,3-dimethyl pyrazole ethyl ester include inquiries about solubility characteristics (soluble in most organic solvents), melting point range (typically 45-50°C), and compatibility with common reagents. Researchers also seek information about scale-up procedures and commercial availability from reputable suppliers.

The future outlook for Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate appears promising, with potential applications expanding into new areas of chemical research. Ongoing studies focus on its role in developing next-generation pharmaceuticals and smart materials, positioning this compound as a valuable tool for innovation across multiple scientific disciplines.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:5744-40-1)Ethyl 1,3-dimethyl-1H-pyrazole-5-carboxylate
A8186
Purity:99%
Quantity:500g
Price ($):629.0
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