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CS-W001157 4
Total: USD 88.00

7-Acetoxy-3-formylchromone

  • CAS No. 42059-49-4

  • Cat. No. CS-0514627
  • Purity≥98%
  • MDL No.MFCD01242471

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

7-Acetoxy-3-formylchromone|CS-0514627

Structure of 42059-49-4

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General Information

  • CAS No. 42059-49-4
  • Cat. No. CS-0514627
  • Purity ≥98%
  • MDL No. MFCD01242471
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈O₅
  • Molecular Weight 232.19
  • Synonym(s) 3-formyl-4-oxo-4H-chromen-7-yl acetate
  • SMILES O=C1C(C=O)=COC2=C1C=CC(OC(C)=O)=C2

Synthesis

  • Route1
    • 4-Acetyl-3-hydroxyphenyl acetate|CS-0512067
      42059-48-3
    • ~%
    • 7-Acetoxy-3-formylchromone|CS-0514627
      42059-49-4

    References

    • Takeda Chemical Industries, Ltd. Patent: US3984441 A1, 1976 ;
  • Route2
    • 4-Acetyl-3-hydroxyphenyl acetate|CS-0512067
      42059-48-3
    • null|null
      68-12-2
    • ~%
    • 7-Acetoxy-3-formylchromone|CS-0514627
      42059-49-4

    References

    • Chand, Karam; Prasad, Suchita; Tiwari, Rakesh K.; Shirazi, Amir N.; Kumar, Sumit; Parang, Keykavous; Sharma, Sunil K. Bioorganic Chemistry, 2014 , vol. 53, p. 75 - 82
  • Route3
    • 4-Acetyl-3-hydroxyphenyl acetate|CS-0512067
      42059-48-3
    • null|null
      75258-58-1
    • ~49%
    • 7-Acetoxy-3-formylchromone|CS-0514627
      42059-49-4

    References

    • Lahoti, R. J.; Wagle, D. R. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 11 p. 1007 - 1008

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   73.58
  • LogP   1.5308
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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