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Methyl 4-oxo-4H-chromene-2-carboxylate

  • CAS No. 18398-73-7

  • Cat. No. CS-0312881
  • Molecule weight204.18
  • Purity≥98%
  • MDL No.None

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

Methyl 4-oxo-4H-chromene-2-carboxylate|CS-0312881

Structure of 18398-73-7

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General Information

  • CAS No. 18398-73-7
  • Cat. No. CS-0312881
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈O₄
  • Molecular Weight 204.18
  • Synonym(s) 4H-1-BENZOPYRAN-2-CARBOXYLIC ACID,4-OXO-,METHYL ESTER
  • SMILES COC(=O)C1=CC(=O)C2=C(C=CC=C2)O1

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      Chromocarb|CS-4791
      4940-39-0
    • ~86%
    • In-stock
      Methyl 4-oxo-4H-chromene-2-carboxylate|CS-0312881
      18398-73-7

    References

    • Sakamoto, Masami; Yoshiwara, Kazuya; Yagishita, Fumitoshi; Yoshida, Wataru; Mino, Takashi; Fujita, Tsutomu Research on Chemical Intermediates, 2013 , vol. 39, # 1 p. 385 - 395
  • Route2

    References

    • Merrell Pharmaceuticals Inc. Patent: US5668143 A1, 1997 ;
  • Route3
    • 2'-Hydroxyacetophenone Paracetamol Impurity|CS-0228947
      118-93-4
    • null|null
      95-92-1
    • ~77%
    • In-stock
      Methyl 4-oxo-4H-chromene-2-carboxylate|CS-0312881
      18398-73-7

    References

    • Reddy, K. R. S.; Srimannarayana, G.; Rao, N. V. Subba Journal of the Indian Chemical Society, 1986 , vol. 63, p. 600 - 602

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   56.51
  • LogP   1.5796
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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