Cas no 79065-74-0 (7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid)

7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid is a chromene derivative with a molecular structure featuring an ethoxy substituent at the 7-position and a carboxylic acid group at the 3-position. This compound is of interest in organic synthesis and pharmaceutical research due to its coumarin-based framework, which serves as a versatile scaffold for developing bioactive molecules. Its carboxylic acid functionality allows for further derivatization, enabling the creation of esters, amides, or other derivatives with potential applications in medicinal chemistry. The ethoxy group enhances solubility and may influence binding interactions in biological systems. This compound is typically used in research settings for exploring structure-activity relationships in drug discovery.
7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid structure
79065-74-0 structure
Product Name:7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid
CAS No:79065-74-0
MF:C12H10O5
MW:234.204803943634
MDL:MFCD08691745
CID:879450
PubChem ID:16641359
Update Time:2025-05-19

7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid
    • 7-ethoxy-2-oxo-2H-chromene-3-carboxylic acid(SALTDATA: FREE)
    • 7-ethoxy-2-oxochromene-3-carboxylic acid
    • 7-ethoxycoumarin-3-carboxylic acid
    • NS-03099
    • 79065-74-0
    • CS-0319419
    • 7-ETHOXY-2-OXO-2H-CHROMENE-3-CARBOXYLICACID
    • DTXSID70586422
    • MFCD08691745
    • 7-Ethoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
    • AKOS000272850
    • SCHEMBL17704676
    • MDL: MFCD08691745
    • Inchi: 1S/C12H10O5/c1-2-16-8-4-3-7-5-9(11(13)14)12(15)17-10(7)6-8/h3-6H,2H2,1H3,(H,13,14)
    • InChI Key: YDYPFONHKLFGFK-UHFFFAOYSA-N
    • SMILES: O1C(C(C(=O)O)=CC2C=CC(=CC1=2)OCC)=O

Computed Properties

  • Exact Mass: 234.05300
  • Monoisotopic Mass: 234.05282342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 360
  • 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: 2.5
  • Topological Polar Surface Area: 72.8?2

Experimental Properties

  • Density: 1.395
  • Boiling Point: 429.6°C at 760 mmHg
  • Flash Point: 170.5°C
  • Refractive Index: 1.596
  • PSA: 76.74000
  • LogP: 1.88990
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid Security Information

7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid Customs Data

  • HS CODE:2932209090
  • Customs Data:

    China Customs Code:

    2932209090

    Overview:

    2932209090. Other lactones. 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:

    2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:79065-74-0)7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid
Order Number:A1176721
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:35
Price ($):169.0

Additional information on 7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid

7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid (CAS No. 79065-74-0): A Comprehensive Overview

7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid, with the chemical identifier CAS No. 79065-74-0, is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and bioorganic synthesis. This compound belongs to the chromene family, which is characterized by a benzopyranone core structure. The presence of an ethoxy group and a carboxylic acid moiety at specific positions on the chromene ring imparts unique chemical and biological properties, making it a valuable intermediate in the synthesis of various pharmacologically active molecules.

The chromene scaffold is well-documented for its role in medicinal chemistry, particularly due to its ability to interact with biological targets such as enzymes and receptors. The structural features of 7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid have been extensively studied for their potential in developing novel therapeutic agents. Recent advancements in synthetic methodologies have enabled more efficient and scalable production of this compound, facilitating its incorporation into complex drug candidates.

In recent years, there has been a surge in research focusing on natural product-inspired heterocycles, with chromenes being among the most extensively explored classes. The 7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid structure has been utilized as a building block in the synthesis of bioactive molecules with antimicrobial, anti-inflammatory, and anticancer properties. For instance, derivatives of this compound have shown promising activity against various cancer cell lines by modulating key signaling pathways involved in cell proliferation and apoptosis.

The 7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid molecule exhibits interesting photophysical properties, which have made it a candidate for applications in photochemical research and development of photoactive materials. Its ability to undergo photoinduced reactions under controlled conditions has been leveraged in designing molecular switches and sensors. Additionally, the carboxylic acid functionality provides a handle for further chemical modifications, allowing chemists to tailor the properties of the compound for specific applications.

The synthesis of 7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid typically involves multi-step organic transformations, starting from readily available precursors such as resorcinol and ethyl acetoacetate. Modern synthetic approaches often employ catalytic methods to enhance yield and selectivity, reducing the environmental impact of the process. The development of green chemistry principles has encouraged researchers to explore solvent-free reactions and biocatalytic pathways for the preparation of this compound.

In clinical research, derivatives of 7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid have been investigated for their potential therapeutic benefits. Notably, some analogs have demonstrated significant anti-inflammatory effects by inhibiting key pro-inflammatory cytokines. These findings have opened new avenues for treating chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease. Furthermore, the chromene core has been integrated into drug delivery systems, improving bioavailability and targeted delivery of therapeutic agents.

The 7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid structure also finds applications in material science, particularly in the development of organic semiconductors and light-emitting diodes (OLEDs). The conjugated system within the chromene ring allows for efficient charge transport, making it suitable for use in electronic devices. Researchers have explored various modifications to optimize its electronic properties for applications in flexible electronics and optoelectronic devices.

The growing interest in 7-Ethoxy-2 oxo - 2 H - chromene - 3 - carboxylic acid is reflected in the increasing number of patents and scientific publications dedicated to its synthesis and applications. Industry leaders are investing heavily in research to develop novel derivatives with enhanced pharmacological profiles. Collaborative efforts between academia and industry are fostering innovation, leading to faster translation of laboratory discoveries into clinical trials.

The future prospects for 7-Ethoxy - 2 - oxo - 2 H - chromene - 3 - carboxylic acid are promising, with ongoing research focusing on expanding its utility across multiple domains. Advances in computational chemistry are enabling virtual screening of potential derivatives, accelerating the discovery process. Additionally, interdisciplinary approaches combining synthetic chemistry with bioinformatics are expected to unlock new possibilities for this versatile compound.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:79065-74-0)7-Ethoxy-2-oxo-2H-chromene-3-carboxylic acid
A1176721
Purity:99%
Quantity:5g
Price ($):169.0
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