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CS-W001157 4
Total: USD 88.00

3,4-Diethoxycyclobut-3-ene-1,2-dione

  • CAS No. 5231-87-8

  • Cat. No. CS-W004755
  • Purity≥98%
  • MDL No.MFCD00001333

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

3,4-Diethoxycyclobut-3-ene-1,2-dione|CS-W004755

Structure of 5231-87-8

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General Information

  • CAS No. 5231-87-8
  • Cat. No. CS-W004755
  • Purity ≥98%
  • MDL No. MFCD00001333
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₄
  • Molecular Weight 170.16
  • Synonym(s) Squaric Acid Diethyl Ester
  • SMILES C(OC1=C(C(=O)C1=O)OCC)C

Description

The reaction of 3,4-diethoxy-3-cyclobutene-1,2-dione (squaric acid diethyl ester) with glycosylamines (formed by reducing oligosaccharides) was studied. The derivatives formed were linked to amino-functionalized lipids, solids or proteins.3,4-Dethoxy-3-cyclobutene-1,2-dione is used as a starting material for synthesis of furanones and quinones. It undergoes ethoxy substitution with amines and unsaturated organosilanes.

Synthesis

  • Route1
    • null|null
      64-17-5
    • In-stock
      NSC 624671|CS-W019969
      2892-51-5
    • ~86%
    • In-stock
      3,4-Diethoxycyclobut-3-ene-1,2-dione|CS-W004755
      5231-87-8

    References

    • Ohno, Masatomi; Yamamoto, Yoshihiko; Shirasaki, Yuhichi; Eguchi, Shoji Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1993 , # 2 p. 263 - 272
  • Route2
    • null|null
      122-51-0
    • In-stock
      NSC 624671|CS-W019969
      2892-51-5
    • ~83%
    • In-stock
      3,4-Diethoxycyclobut-3-ene-1,2-dione|CS-W004755
      5231-87-8

    References

    • Busschaert, Nathalie; Kirby, Isabelle L.; Young, Sarah; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Gale, Philip A. Angewandte Chemie - International Edition, 2012 , vol. 51, # 18 p. 4426 - 4430
  • Route3
    • null|null
      64-17-5
    • null|null
      122-51-0
    • In-stock
      NSC 624671|CS-W019969
      2892-51-5
    • ~91%
    • In-stock
      3,4-Diethoxycyclobut-3-ene-1,2-dione|CS-W004755
      5231-87-8

    References

    • Liu, Hiu; Tomooka, Craig S.; Moore, Harold W. Synthetic Communications, 1997 , vol. 27, # 12 p. 2177 - 2180

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H317-H319-H334-H335
Precautionary Statements : P261-P264-P271-P272-P280-P284-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   0.08
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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