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CS-W001157 4
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2,3-Dimethoxycyclohexa-2,5-diene-1,4-dione

  • CAS No. 3117-02-0

  • Cat. No. CS-0172539
  • Purity≥95%
  • MDL No.None

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

2,3-Dimethoxycyclohexa-2,5-diene-1,4-dione|CS-0172539

Structure of 3117-02-0

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General Information

  • CAS No. 3117-02-0
  • Cat. No. CS-0172539
  • Purity ≥95%
  • 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) 2,3-Dimethoxy-1,4-benzoquinone
  • SMILES COC1=C(C(=O)C=CC1=O)OC

Synthesis

  • Route1
    • 2,3,4-Trimethoxyphenol|CS-0101481
      19676-64-3
    • ~96%
    • 2,3-Dimethoxycyclohexa-2,5-diene-1,4-dione|CS-0172539
      3117-02-0

    References

    • Matsumoto, Masakatsu; Kobayashi, Hisako; Hotta, Yasushi Synthetic Communications, 1985 , vol. 15, # 6 p. 515 - 520
  • Route2

    References

    • Dietl, F.; Gierer, G.; Merz, A. Synthesis, 1985 , # 6/7 p. 626 - 631
  • Route3

    References

    • Tetrahedron Letters, , vol. 54, # 19 p. 2344 - 2347

Safety Information

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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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