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1,1'-(1,4-Phenylene)bis(butane-1,3-dione)

  • CAS No. 57291-95-9

  • Cat. No. CS-0379139
  • Purity≥98%
  • MDL No.None

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

1,1'-(1,4-Phenylene)bis(butane-1,3-dione)|CS-0379139

Structure of 57291-95-9

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General Information

  • CAS No. 57291-95-9
  • Cat. No. CS-0379139
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄O₄
  • Molecular Weight 246.26
  • Synonym(s) 1-[4-(3-Oxobutanoyl)phenyl]butane-1,3-dione
  • SMILES O=C(C1=CC=C(C=C1)C(=O)CC(=O)C)CC(=O)C

Synthesis

  • Route1

    References

    • Korsager, Signe; Nielsen, Dennis U.; Taaning, Rolf H.; Lindhardt, Anders T.; Skrydstrup, Troels Chemistry - A European Journal, 2013 , vol. 19, # 52 p. 17687 - 17691
  • Route2

    References

    • Berend; Herms Journal fuer Praktische Chemie (Leipzig), 1906 , vol. <2> 74, p. 128

Safety Information

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Hazard Statements : N/A
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Computational Chemistry Data

  • TPSA   68.28
  • LogP   2.0102
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   6

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