Cas no 1166756-76-8 (Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate)

Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate is a benzoate ester derivative incorporating a 1,2,4-oxadiazole heterocycle, notable for its structural versatility in organic synthesis and pharmaceutical applications. The presence of the oxadiazole ring enhances metabolic stability and binding affinity, making it a valuable intermediate in medicinal chemistry. The ethyl ester group improves solubility and facilitates further functionalization. This compound exhibits potential as a scaffold for developing bioactive molecules, particularly in targeting enzyme inhibition or receptor modulation. Its well-defined synthetic route ensures reproducibility, while the balanced lipophilicity contributes to favorable pharmacokinetic properties. Suitable for research in drug discovery and material science, it offers a robust platform for derivatization.
Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate structure
1166756-76-8 structure
Product Name:Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate
CAS No:1166756-76-8
MF:C13H14N2O3
MW:246.261863231659
MDL:MFCD12198872
CID:1056142
PubChem ID:53429625
Update Time:2025-10-29

Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate
    • 3-(5-ethyl-1,2,4-oxadiazol-3-yl)Benzoic acid ethyl ester
    • 1166756-76-8
    • DTXSID901246066
    • DB-014657
    • Ethyl3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoate
    • SY005716
    • A893545
    • MFCD12198872
    • CS-0452320
    • AC3056
    • MDL： MFCD12198872
    • Inchi： 1S/C13H14N2O3/c1-3-11-14-12(15-18-11)9-6-5-7-10(8-9)13(16)17-4-2/h5-8H,3-4H2,1-2H3
    • InChI Key： YKLAIEJAARWSHQ-UHFFFAOYSA-N
    • SMILES： O1C(CC)=NC(C2=CC=CC(C(=O)OCC)=C2)=N1

Computed Properties

  • Exact Mass: 246.10000
  • Monoisotopic Mass: 246.10044231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 285
  • 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: 65.2?2

Experimental Properties

  • PSA: 65.22000
  • LogP: 2.47570

Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate Pricemore >>

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Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate Related Literature

Additional information on Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate

Ethyl 3-(5-Ethyl-1,2,4-Oxadiazol-3-Yl)Benzoate: A Comprehensive Overview

Ethyl 3-(5-Ethyl-1,2,4-Oxadiazol-3-Yl)Benzoate (CAS No. 1166756-76-8) is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a benzoate group with an oxadiazole moiety. The oxadiazole ring system is a five-membered heterocycle containing two nitrogen atoms and one oxygen atom, making it a versatile building block for various chemical applications.

The synthesis of Ethyl 3-(5-Ethyl-1,2,4-Oxadiazol-3-Yl)Benzoate involves a series of well-established organic reactions. The key step in its preparation is the coupling of an appropriate benzoic acid derivative with an oxadiazole precursor. Recent advancements in catalytic methods have enabled the efficient synthesis of this compound under mild conditions. For instance, researchers have employed palladium-catalyzed cross-coupling reactions to achieve high yields and excellent selectivity in the formation of this compound.

Ethyl 3-(5-Ethyl-1,2,4-Oxadiazol-3-Yl)Benzoate exhibits interesting physical and chemical properties that make it suitable for various applications. Its benzoate group contributes to its stability and solubility in organic solvents, while the oxadiazole ring imparts unique electronic properties. These characteristics have led to its exploration in areas such as drug delivery systems and advanced materials.

Recent studies have highlighted the potential of Ethyl 3-(5-Ethyl-1,2,4-Oxadiazol-3-Yl)Benzoate as a precursor for bioactive compounds. For example, researchers have utilized this compound as a building block for synthesizing novel antibiotics and anticancer agents. The oxadiazole ring has been shown to enhance the bioavailability and efficacy of these compounds due to its ability to form hydrogen bonds with biological molecules.

In addition to its pharmaceutical applications, Ethyl 3-(5-Ethyl-1,2,4-Oxadiazol-3-Yl)Benzoate has also found use in the field of materials science. Its ability to form self-assembled monolayers (SAMs) has been exploited for the development of advanced sensors and electronic devices. The benzoate group plays a crucial role in stabilizing these SAMs under harsh environmental conditions.

The latest research on Ethyl 3-(5-Ethyl-1,2,4-Oxadiazol-3-Yl)Benzoate has focused on its application in sustainable chemistry. Scientists have developed green synthesis methods for this compound using renewable resources as starting materials. These methods not only reduce the environmental footprint but also lower the cost of production.

In conclusion, Ethyl 3-(5-Ethyl-1,2,4-Oxadiazol-3-Yl)Benzoate (CAS No. 1166756-76

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