Cas no 110821-37-9 (Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate)

Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate is a pyrazole-based ester compound with notable applications in pharmaceutical and agrochemical research. Its structure features a chloro-substituted pyrazole ring linked to a 4-nitrophenyl group, enhancing reactivity and versatility in synthetic pathways. The presence of both electron-withdrawing (nitro and chloro) groups contributes to its utility as an intermediate in the development of biologically active molecules. This compound exhibits stability under standard conditions, facilitating handling and storage. Its well-defined chemical properties make it suitable for use in cross-coupling reactions, heterocyclic synthesis, and as a precursor for further functionalization. High purity grades are available to meet rigorous research requirements.
Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate structure
110821-37-9 structure
Product Name:Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate
CAS No:110821-37-9
MF:C12H10ClN3O4
MW:295.678501605988
CID:94880
PubChem ID:13802164
Update Time:2025-06-14

Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate
    • LogP
    • ethyl 5-chloro-1-(4-nitrophenyl)pyrazole-4-carboxylate
    • 5-Chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
    • ethyl5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate
    • DTXSID60549900
    • 110821-37-9
    • AKOS015899913
    • FT-0717926
    • Inchi: 1S/C12H10ClN3O4/c1-2-20-12(17)10-7-14-15(11(10)13)8-3-5-9(6-4-8)16(18)19/h3-7H,2H2,1H3
    • InChI Key: DFONJFIUUOSJLQ-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)OCC)C=NN1C1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 295.0361
  • Monoisotopic Mass: 295.0359835g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 368
  • 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: 2.9
  • Topological Polar Surface Area: 89.9?2

Experimental Properties

  • Density: 1.46
  • Melting Point: 131-132 oC
  • Boiling Point: 439.401°C at 760 mmHg
  • Flash Point: 219.542°C
  • Refractive Index: 1.633
  • PSA: 87.26
  • LogP: 3.13380

Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate Pricemore >>

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Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate Related Literature

Additional information on Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate

Comprehensive Overview of Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate (CAS No. 110821-37-9)

Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate (CAS No. 110821-37-9) is a specialized organic compound widely recognized in pharmaceutical and agrochemical research. This compound belongs to the pyrazole family, a class of heterocyclic compounds known for their diverse biological activities. The presence of functional groups such as the nitrophenyl and ester moieties enhances its reactivity, making it a valuable intermediate in synthetic chemistry. Researchers and industries are increasingly interested in this compound due to its potential applications in drug discovery and crop protection.

In recent years, the demand for pyrazole derivatives has surged, driven by their role in developing novel therapeutics and agrochemicals. Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate stands out due to its unique structural features, which allow for further functionalization. For instance, the chloro and nitro groups provide sites for nucleophilic substitution reactions, enabling the synthesis of more complex molecules. This versatility has made it a subject of interest in academic and industrial laboratories alike.

One of the trending topics in chemical research is the exploration of sustainable synthesis methods. Scientists are investigating greener approaches to produce Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate, such as using catalytic processes or renewable solvents. These efforts align with the global push toward environmentally friendly chemistry, a theme frequently searched by users on platforms like Google and AI-driven research tools. Questions like "How to synthesize pyrazole derivatives sustainably?" or "What are the applications of nitrophenyl compounds?" reflect the growing curiosity around this compound.

The compound's potential in pharmaceutical applications is another hot topic. Pyrazole scaffolds are prevalent in drugs targeting inflammation, cancer, and infectious diseases. For example, the nitrophenyl group in Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate could be modified to enhance bioactivity, a strategy often explored in medicinal chemistry. Researchers are also examining its role in developing antimicrobial agents, a critical area given the rise of antibiotic resistance.

In agrochemistry, Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate is studied for its potential as a pesticide intermediate. The chloro and nitro substituents contribute to its pesticidal properties, making it a candidate for designing next-generation crop protection products. With the increasing focus on food security and sustainable agriculture, this compound's relevance is expected to grow. Searches like "pyrazole-based pesticides" or "nitrophenyl compounds in agriculture" highlight the public's interest in these applications.

From a technical perspective, the synthesis and characterization of Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate involve advanced analytical techniques. Nuclear magnetic resonance (NMR) spectroscopy and high-performance liquid chromatography (HPLC) are commonly used to confirm its purity and structure. These methods ensure the compound meets the stringent requirements of pharmaceutical and agrochemical industries. Users often search for "NMR analysis of pyrazole derivatives" or "HPLC methods for nitrophenyl compounds," underscoring the need for reliable analytical data.

In conclusion, Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate (CAS No. 110821-37-9) is a multifaceted compound with significant potential in both pharmaceuticals and agrochemicals. Its unique structure, combined with the growing emphasis on sustainable chemistry and innovative applications, makes it a compelling subject for ongoing research. As the scientific community continues to explore its possibilities, this compound is poised to play a pivotal role in addressing some of the most pressing challenges in health and agriculture.

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