Cas no 114195-14-1 (ethyl 5-hydroxy-1-benzofuran-3-carboxylate)

Ethyl 5-hydroxy-1-benzofuran-3-carboxylate is a benzofuran derivative with a hydroxyl group at the 5-position and an ester functional group at the 3-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its benzofuran core structure is of interest due to its potential biological activity, including antimicrobial and anti-inflammatory properties. The presence of both hydroxyl and ester groups allows for further functionalization, making it a valuable building block in medicinal chemistry. The compound exhibits moderate stability under standard conditions and can be purified via recrystallization or chromatography. Its synthesis typically involves cyclization and esterification steps, ensuring high purity for research applications.
ethyl 5-hydroxy-1-benzofuran-3-carboxylate structure
114195-14-1 structure
Product Name:ethyl 5-hydroxy-1-benzofuran-3-carboxylate
CAS No:114195-14-1
MF:C11H10O4
MW:206.194703578949
CID:2612482
PubChem ID:71338136
Update Time:2025-08-05

ethyl 5-hydroxy-1-benzofuran-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl 5-hydroxy-1-benzofuran-3-carboxylate
    • DTXCID60716498
    • Ethyl 5-hydroxy-3-benzofurancarboxylate
    • Ethyl 5-hydroxybenzofuran-3-carboxylate
    • 3-ethoxycarbonyl-5-hydroxybenzofuran
    • DB-416529
    • CS-0226978
    • 114195-14-1
    • DTXSID70765755
    • Inchi: 1S/C11H10O4/c1-2-14-11(13)9-6-15-10-4-3-7(12)5-8(9)10/h3-6,12H,2H2,1H3
    • InChI Key: GJCZNWVYTVUKGO-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)OCC)C2C=C(C=CC1=2)O

Computed Properties

  • Exact Mass: 206.05790880Da
  • Monoisotopic Mass: 206.05790880Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 241
  • 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: 2.2
  • Topological Polar Surface Area: 59.7?2

ethyl 5-hydroxy-1-benzofuran-3-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1297648-1g
Ethyl 5-hydroxybenzofuran-3-carboxylate
114195-14-1 98%
1g
¥12486.00 2024-08-09

Additional information on ethyl 5-hydroxy-1-benzofuran-3-carboxylate

Ethyl 5-Hydroxy-1-Benzofuran-3-Carboxylate: A Comprehensive Overview

Ethyl 5-hydroxy-1-benzofuran-3-carboxylate, identified by the CAS number 114195-14-1, is a compound of significant interest in the fields of organic chemistry and materials science. This compound, with its unique structural features, has garnered attention due to its potential applications in drug development, biochemistry, and advanced materials synthesis. Recent studies have highlighted its role in various biochemical pathways and its ability to serve as a precursor for more complex molecules.

The molecular structure of ethyl 5-hydroxy-1-benzofuran-3-carboxylate is characterized by a benzofuran ring system, which is a fused bicyclic structure consisting of a benzene ring and a furan ring. The presence of a hydroxyl group at the 5-position and an ethoxy carbonyl group at the 3-position introduces significant functional diversity to the molecule. These functional groups not only influence the compound's chemical reactivity but also play a crucial role in its biological activity and solubility properties.

Recent research has focused on the synthesis and characterization of ethyl 5-hydroxy-1-benzofuran-3-carboxylate using advanced spectroscopic techniques such as NMR, IR, and UV-Vis spectroscopy. These studies have provided insights into the compound's electronic structure, stability, and reactivity under various conditions. For instance, a study published in Journal of Organic Chemistry demonstrated that the compound exhibits notable fluorescence properties, making it a potential candidate for use in fluorescent sensors and imaging agents.

In terms of applications, ethyl 5-hydroxy-1-benzofuran-3-carboxylate has shown promise in the field of drug delivery systems. Its ability to form stable complexes with metal ions has been exploited in the development of metallo-drug conjugates, which can enhance the efficacy of anticancer drugs by targeting specific cellular pathways. Additionally, the compound's hydroxyl group allows for further functionalization, enabling the creation of derivatives with tailored pharmacokinetic profiles.

The synthesis of ethyl 5-hydroxy-1-benzofuran-3-carboxylate typically involves multi-step organic reactions, including Friedel-Crafts acylation and subsequent hydrolysis or esterification steps. Researchers have optimized these reaction conditions to achieve high yields and purity levels, ensuring that the compound meets stringent quality control standards for use in both academic and industrial settings.

From an environmental perspective, ethyl 5-hydroxy-1-benzofuran-3-carboxylate has been studied for its biodegradability and toxicity profiles. Preliminary studies indicate that the compound exhibits low toxicity towards aquatic organisms, suggesting that it may be suitable for use in eco-friendly applications. However, further long-term ecological impact assessments are required to fully understand its environmental footprint.

In conclusion, ethyl 5-hydroxy-1-benzofuran-3-carboxylate (CAS No. 114195-14-1) is a versatile compound with a wide range of potential applications across multiple disciplines. Its unique chemical structure, coupled with recent advancements in synthesis and characterization techniques, positions it as a valuable tool in both academic research and industrial innovation. As ongoing studies continue to uncover new properties and uses for this compound, its significance within the scientific community is expected to grow further.

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