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CS-W001157 4
Total: USD 88.00

4,5-Dimethoxycyclohexa-3,5-diene-1,2-dione

  • CAS No. 21086-65-7

  • Cat. No. CS-0328334
  • Purity≥98%
  • MDL No.None

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

4,5-Dimethoxycyclohexa-3,5-diene-1,2-dione|CS-0328334

Structure of 21086-65-7

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General Information

  • CAS No. 21086-65-7
  • Cat. No. CS-0328334
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₄
  • Molecular Weight 168.15
  • Synonym(s) 4,5-Dimethoxy-o-benzoquinone
  • SMILES O=C(C=C(OC)C(OC)=C1)C1=O

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      108-95-2
    • ~87%
    • 4,5-Dimethoxycyclohexa-3,5-diene-1,2-dione|CS-0328334
      21086-65-7

    References

    • Prati, Laura; Rossi, Michele Gazzetta Chimica Italiana, 1995 , vol. 125, # 2 p. 83 - 86
  • Route2
    • null|null
      115320-11-1
    • ~90%
    • 4,5-Dimethoxycyclohexa-3,5-diene-1,2-dione|CS-0328334
      21086-65-7

    References

    • Saa, Jose M.; Capo, Magdalena; Marti, Catalina; Garcia-Raso, Angel Journal of Organic Chemistry, 1990 , vol. 55, # 1 p. 288 - 292
  • Route3
    • 4,5-Dimethoxybenzene-1,2-diol|CS-0582770
      1664-27-3
    • ~%
    • 4,5-Dimethoxycyclohexa-3,5-diene-1,2-dione|CS-0328334
      21086-65-7

    References

    • Stahl; Kissau; Mazitschek; Huwe; Furet; Giannis; Waldmann Journal of the American Chemical Society, 2001 , vol. 123, # 47 p. 11586 - 11593

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

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   0.1988
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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