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CS-W001157 4
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1-(4-Chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione

  • CAS No. 65599-34-0

  • Cat. No. CS-0363586
  • Molecule weight274.70
  • Purity≥98%
  • MDL No.None

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

1-(4-Chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione|CS-0363586

Structure of 65599-34-0

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General Information

  • CAS No. 65599-34-0
  • Cat. No. CS-0363586
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁ClO₃
  • Molecular Weight 274.70
  • Synonym(s) 4-(4-OXO-2-THIAZOLIDIN-3-YL)BUTANOICACID
  • SMILES C1=CC=C(C(=C1)C(=O)CC(=O)C2=CC=C(C=C2)Cl)O

Synthesis

  • Route1
    • null|null
      84634-62-8
    • ~68%
    • 1-(4-Chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione|CS-0363586
      65599-34-0

    References

    • Nishinaga; Ando; Maruyama; Mashino Synthesis, 1992 , # 9 p. 839 - 841
  • Route2
    • 2'-Hydroxyacetophenone Paracetamol Impurity|CS-0228947
      118-93-4
    • ~%
    • 1-(4-Chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione|CS-0363586
      65599-34-0

    References

    • Krayushkin, Mikhail M.; Levchenko, Konstantin S.; Yarovenko, Vladimir N.; Christoforova, Ludmila V.; Barachevsky, Valery A.; Puankov, Yury A.; Valova, Tatyana M.; Kobeleva, Olga I.; Lyssenko New Journal of Chemistry, 2009 , vol. 33, # 11 p. 2267 - 2277
  • Route3
    • 2'-Hydroxyacetophenone Paracetamol Impurity|CS-0228947
      118-93-4
    • null|null
      122-01-0
    • ~%
    • 1-(4-Chlorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione|CS-0363586
      65599-34-0

    References

    • Zheng, Xing; Zhao, Fei Fei; Liu, Yun Mei; Yao, Xu; Zheng, Zi Tong; Luo, Xing; Liao, Duan Fang Medicinal Chemistry, 2010 , vol. 6, # 1 p. 6 - 8

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   3.5013
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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