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CS-W001157 4
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Ethyl 7-hydroxy-2-oxo-2H-chromene-4-carboxylate

  • CAS No. 1084-45-3

  • Cat. No. CS-0130782
  • Purity≥95%
  • MDL No.MFCD00174422

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

Ethyl 7-hydroxy-2-oxo-2H-chromene-4-carboxylate|CS-0130782

Structure of 1084-45-3

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General Information

  • CAS No. 1084-45-3
  • Cat. No. CS-0130782
  • Purity ≥95%
  • MDL No. MFCD00174422
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀O₅
  • Molecular Weight 234.20
  • Synonym(s) Ethyl 7-hydroxycoumarin-4-carboxylate
  • SMILES O=C1OC2=C(C=CC(O)=C2)C(C(OCC)=O)=C1

Synthesis

  • Route1
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      98807-33-1
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      108-46-3
    • ~%
    • Ethyl 7-hydroxy-2-oxo-2H-chromene-4-carboxylate|CS-0130782
      1084-45-3

    References

    • Clinton; Laskowski Journal of the American Chemical Society, 1949 , vol. 71, p. 3602,3604
  • Route2

    References

    • v. Pechmann; Graeger Chemische Berichte, 1901 , vol. 34, p. 384
  • Route3

    References

    • Pisani, Leonardo; Barletta, Maria; Soto-Otero, Ramon; Nicolotti, Orazio; Mendez-Alvarez, Estefania; Catto, Marco; Introcaso, Antonellina; Stefanachi, Angela; Cellamare, Saverio; Altomare, Cosimo; Carotti, Angelo Journal of Medicinal Chemistry, 2013 , vol. 56, # 6 p. 2651 - 2664

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.74
  • LogP   1.6753
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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