Cas no 1846-76-0 (Ethyl 3-coumarincarboxylate)

Ethyl 3-coumarincarboxylate is a versatile organic compound belonging to the coumarin family, characterized by its ester functional group at the 3-position. This compound is widely utilized as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and fluorescent dyes. Its structural features enable efficient derivatization, making it valuable for constructing heterocyclic frameworks. The ethyl ester moiety enhances solubility in organic solvents, facilitating reactions under mild conditions. Additionally, its well-defined reactivity profile allows for selective modifications, supporting applications in medicinal chemistry and material science. Ethyl 3-coumarincarboxylate is noted for its stability and compatibility with diverse synthetic methodologies.
Ethyl 3-coumarincarboxylate structure
Ethyl 3-coumarincarboxylate structure
Product Name:Ethyl 3-coumarincarboxylate
CAS No:1846-76-0
MF:C12H10O4
MW:218.205403804779
MDL:MFCD00016964
CID:83976
PubChem ID:24864346
Update Time:2025-10-31

Ethyl 3-coumarincarboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-oxo-2H-chromene-3-carboxylate
    • ETHYL 3-COUMARINCARBOXYLATE
    • COUMARIN-3-CARBOXYLIC ACID ETHYL ESTER
    • AURORA KA-28
    • RARECHEM AB KA K001
    • 1,2-Benzopyran-2-one-3-carboxylic acid, ethyl ester
    • Ethyl coumarin-3-carboxylate
    • 3-Ethoxycarbonylcoumarin
    • ethyl 2-oxochromene-3-carboxylate
    • 2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
    • 2-oxochromene-3-carboxylic acid ethyl ester
    • 3-Carbethoxycoumarin
    • 3-carboethoxycoumarin
    • ethyl 2-oxo-2H-1-benzopyran-3-carboxylate
    • ethyl 2-oxo-2H-1-benzopyrano-3-carboxylate
    • thyl 3-coumarincarboxylate
    • Ethylcoumarin-3-carboxylate98%
    • Ethyl 3-coumarincarboxylate 99%
    • Ethyl 3-coumarincarboxylate,97%
    • Ethylcoumarin-3-carboxylate
    • 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-, ETHYL ESTER
    • 27EAZ97E5V
    • XKHPEMKBJGUYCM-UHFFFAOYSA-N
    • 2H-1-Benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester
    • ETHYL 2H-1-BENZOPYRAN-2-OXO-3-CARBOXYLATE
    • CHEMBL591436
    • NSC-620
    • 2-oxo-chromene-3-carboxylic acid ethyl ester
    • SDCCGMLS-0065851.P001
    • NSC620
    • NSC 620
    • Ethyl 2-oxo-2H-chromene-3-carboxylate #
    • AKOS002664637
    • BRN 0200147
    • HY-W014081
    • Propionic acid 2-oxo-2H-chromen-3-yl ester
    • MFCD00016964
    • J-011833
    • UNII-27EAZ97E5V
    • FT-0625770
    • A812880
    • s9336
    • DTXSID70171594
    • InChI=1/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
    • 1846-76-0
    • E0992
    • XKHPEMKBJGUYCM-UHFFFAOYSA-
    • 1ST164124
    • SY048423
    • HMS544J16
    • 2-OXO-2H, ETHYL ESTER
    • ETHYL 2H-2-OXO-1-BENZOPYRAN-3-CARBOXYLATE
    • AJ-333/36116059
    • SCHEMBL6243624
    • CS-W014797
    • Maybridge1_001094
    • CCG-244048
    • AMY25106
    • PS-5756
    • Ethyl 3-coumarincarboxylate, 99%
    • FC16
    • DB-044537
    • ALBB-036325
    • STK721837
    • 811-043-7
    • DTXCID4094085
    • Ethyl 3-coumarincarboxylate
    • MDL: MFCD00016964
    • Inchi: 1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
    • InChI Key: XKHPEMKBJGUYCM-UHFFFAOYSA-N
    • SMILES: O1C(C(C(=O)OCC)=CC2C=CC=CC1=2)=O
    • BRN: 0200147

Computed Properties

  • Exact Mass: 218.05800
  • Monoisotopic Mass: 218.057909
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 332
  • 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: 2.3
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Color/Form: powder
  • Density: 1.1096 (rough estimate)
  • Melting Point: 92.0 to 96.0 deg-C
  • Boiling Point: 278.88°C (rough estimate)
  • Flash Point: 195.6°C
  • Refractive Index: 1.4270 (estimate)
  • PSA: 56.51000
  • LogP: 1.96970
  • λmax: 334(CH2Cl2)(lit.)
  • Solubility: Insoluble

Ethyl 3-coumarincarboxylate Security Information

Ethyl 3-coumarincarboxylate 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%

Ethyl 3-coumarincarboxylate Pricemore >>

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Ethyl 3-coumarincarboxylate Suppliers

Amadis Chemical Company Limited
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(CAS:1846-76-0)Ethyl 3-coumarincarboxylate
Order Number:A812880
Stock Status:in Stock
Quantity:100g/25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:58
Price ($):475.0/170.0

Ethyl 3-coumarincarboxylate Related Literature

Additional information on Ethyl 3-coumarincarboxylate

Ethyl 3-coumarincarboxylate (CAS No. 1846-76-0): A Comprehensive Overview in Modern Chemical Biology

Ethyl 3-coumarincarboxylate, identified by the chemical compound code CAS No. 1846-76-0, represents a significant molecule in the realm of chemical biology and pharmaceutical research. This compound, belonging to the coumarin derivatives family, has garnered considerable attention due to its versatile applications and structural properties that make it a valuable candidate for various biochemical studies.

The molecular structure of Ethyl 3-coumarincarboxylate consists of a coumarin core substituted with an ethyl ester group at the 3-position. This configuration imparts unique reactivity and functional characteristics, making it a preferred choice for synthetic chemists and biologists exploring novel therapeutic agents. The coumarin scaffold is well-known for its pharmacological properties, including anti-inflammatory, antimicrobial, and antioxidant effects, which have been extensively studied in recent years.

In recent years, there has been a surge in research focusing on coumarin derivatives due to their potential in drug development. Specifically, Ethyl 3-coumarincarboxylate has been investigated for its role in modulating cellular pathways associated with cancer and neurodegenerative diseases. Studies have demonstrated that this compound can interact with specific enzymes and receptors, leading to the inhibition of tumor growth and the prevention of neurotoxicity. These findings have opened new avenues for therapeutic applications, particularly in oncology and neurology.

The synthesis of Ethyl 3-coumarincarboxylate involves multi-step organic reactions that highlight the compound's synthetic versatility. Researchers have developed efficient synthetic routes that optimize yield and purity, making it feasible for large-scale production. Advanced techniques such as palladium-catalyzed cross-coupling reactions have been employed to enhance the synthesis process, ensuring high-quality material for subsequent biological evaluations.

Beyond its pharmaceutical applications, Ethyl 3-coumarincarboxylate has shown promise in agricultural science. Its structural properties allow it to act as a natural pesticide by disrupting metabolic pathways in pests while maintaining low toxicity to non-target organisms. This makes it an attractive candidate for developing eco-friendly pest control solutions, aligning with global efforts towards sustainable agriculture.

The chemical biology of Ethyl 3-coumarincarboxylate also intersects with material science. Researchers have explored its potential as a precursor for developing organic semiconductors and light-emitting materials. The compound's ability to form stable complexes with other molecules has been leveraged to create novel materials with applications in optoelectronics and nanotechnology. These interdisciplinary studies underscore the broad utility of coumarin derivatives in advancing multiple scientific fields.

In conclusion, Ethyl 3-coumarincarboxylate (CAS No. 1846-76-0) is a multifaceted compound with significant implications in chemical biology and pharmaceutical research. Its unique structural features and functional properties make it a valuable tool for developing new drugs, pesticides, and advanced materials. As research continues to uncover new applications, this compound is poised to play an increasingly important role in addressing global challenges in health, agriculture, and technology.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1846-76-0)Ethyl 3-coumarincarboxylate
A812880
Purity:99%/99%
Quantity:100g/25g
Price ($):475.0/170.0
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