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Ethyl 7-methoxy-4-oxo-4H-chromene-2-carboxylate

  • CAS No. 38322-74-6

  • Cat. No. CS-0465386
  • Purity≥98%
  • MDL No.None

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

Ethyl 7-methoxy-4-oxo-4H-chromene-2-carboxylate|CS-0465386

Structure of 38322-74-6

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General Information

  • CAS No. 38322-74-6
  • Cat. No. CS-0465386
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂O₅
  • Molecular Weight 248.23
  • Synonym(s) 4H-1-Benzopyran-2-carboxylic acid, 7-methoxy-4-oxo-, ethyl ester
  • SMILES CCOC(=O)C1=CC(=O)C2=C(C=C(C=C2)OC)O1

Synthesis

  • Route1

    References

    • MERCK PATENT GMBH Patent: WO2006/94601 A1, 2006 ; Location in patent: Page/Page column 54 ;
  • Route2

    References

    • Lynch, John K.; Freeman, Jennifer C.; Judd, Andrew S.; Iyengar, Rajesh; Mulhern, Mathew; Zhao, Gang; Napier, James J.; Wodka, Dariusz; Brodjian, Sevan; Dayton, Brian D.; Falls, Doug; Ogiela, Christopher; Reilly, Regina M.; Campbell, Thomas J.; Polakowski, James S.; Hernandez, Lisa; Marsh, Kennan C.; Shapiro, Robin; Knourek-Segel, Victoria; Droz, Brian; Bush, Eugene; Brune, Michael; Preusser, Lee C.; Fryer, Ryan M.; Reinhart, Glenn A.; Houseman, Kathryn; Diaz, Gilbert; Mikhail, Ann; Limberis, James T.; Sham, Hing L.; Collins, Christine A.; Kym, Philip R. Journal of Medicinal Chemistry, 2006 , vol. 49, # 22 p. 6569 - 6584
  • Route3

    References

    • Sarkar, Debayan; Venkateswaran, Ramanathapuram V. Tetrahedron, 2011 , vol. 67, # 25 p. 4559 - 4568

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   65.74
  • LogP   1.9783
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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