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CS-W001157 4
Total: USD 88.00

Ethyl coumarilate

  • CAS No. 3199-61-9

  • Cat. No. CS-0030572
  • Purity≥98%
  • MDL No.MFCD03094950

*For research and further manufacturing use only, not for direct human use.

Ethyl coumarilate|CS-0030572

Structure of 3199-61-9

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General Information

  • CAS No. 3199-61-9
  • Cat. No. CS-0030572
  • Purity ≥98%
  • MDL No. MFCD03094950
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₃
  • Molecular Weight 190.20
  • Synonym(s) Ethyl Benzofuran-2-carboxylate
  • SMILES O=C(C1=CC2=CC=CC=C2O1)OCC

Description

Ethyl coumarilate features a reactive ester group fused to a rigid, electron-rich coumarin core. This combination enables efficient conjugation in bioconjugation workflows while maintaining stability under standard bench conditions. The molecule integrates seamlessly into fluorescent labeling strategies and serves as a key scaffold for developing photostable probes.

Application

Ethyl coumarilate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to coumarin-based scaffolds through standard ester hydrolysis or nucleophilic substitution. Its stability under ambient conditions and compatibility with common reaction protocols facilitate straightforward functionalization. The molecule functions effectively as a key intermediate in the synthesis of bioactive heterocycles and fluorescent probes, offering reliable yields and ease of purification in routine laboratory workflows.

Synthesis

  • Route1
    • null|null
      90-02-8
    • null|null
      105-36-2
    • ~93%
    • In-stock
      Ethyl coumarilate|CS-0030572
      3199-61-9

    References

    • Kumaraswamy, Gullapalli; Ramakrishna, Gajula; Raju, Ragam; Padmaja, Mogilisetti Tetrahedron, 2010 , vol. 66, # 52 p. 9814 - 9818
  • Route2
    • null|null
      271-89-6
    • null|null
      109-94-4
    • ~99%
    • In-stock
      Ethyl coumarilate|CS-0030572
      3199-61-9

    References

    • Ushijima, Sousuke; Moriyama, Katsuhiko; Togo, Hideo Tetrahedron, 2012 , vol. 68, # 24 p. 4701 - 4709
  • Route3
    • In-stock
      2-Iodophenyl acetate|CS-0188298
      32865-61-5
    • null|null
      623-47-2
    • ~84%
    • In-stock
      Ethyl coumarilate|CS-0030572
      3199-61-9

    References

    • Khan, M. Wahab; Alam, M. Jahangir; Rashid; Chowdhury Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 16 p. 4796 - 4805

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.44
  • LogP   2.6095
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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