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CS-W001157 4
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4-Acetyl-1,2-phenylene diacetate

  • CAS No. 72712-21-1

  • Cat. No. CS-0278884
  • Purity≥98%
  • MDL No.None

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

4-Acetyl-1,2-phenylene diacetate|CS-0278884

Structure of 72712-21-1

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General Information

  • CAS No. 72712-21-1
  • Cat. No. CS-0278884
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₅
  • Molecular Weight 236.22
  • Synonym(s) Acetic acid 2-acetoxy-5-acetyl-phenyl ester
  • SMILES CC(OC1=CC(C(C)=O)=CC=C1OC(C)=O)=O

Synthesis

  • Route1

    References

    • Dangles, Olivier; Elhabiri, Mourad; Brouillard, Raymond Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1994 , # 12 p. 2587 - 2596
  • Route2

    References

    • Neber; Burgard; Thier Justus Liebigs Annalen der Chemie, 1936 , vol. 526, p. 277,287
  • Route3
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      1344113-47-8
    • ~%
    • 4-Acetyl-1,2-phenylene diacetate|CS-0278884
      72712-21-1

    References

    • Huang, Chunhui; Ghavtadze, Nugzar; Chattopadhyay, Buddhadeb; Gevorgyan, Vladimir Journal of the American Chemical Society, 2011 , vol. 133, # 44 p. 17630 - 17633

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   69.67
  • LogP   1.7398
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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