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CS-W001157 4
Total: USD 88.00

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

  • CAS No. 769195-26-8

  • Cat. No. CS-0101388
  • Purity≥95%
  • MDL No.MFCD09833197

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

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate|CS-0101388

Structure of 769195-26-8

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General Information

  • CAS No. 769195-26-8
  • Cat. No. CS-0101388
  • Purity ≥95%
  • MDL No. MFCD09833197
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉F₃O₃
  • Molecular Weight None
  • Synonym(s) Benzenebutanoic acid, 2,4,5-trifluoro-3-oxo-, methyl ester
  • SMILES FC1=C(CC(CC(OC)=O)=O)C=C(F)C(F)=C1

Synthesis

  • Route1
    • null|null
      38330-80-2
    • In-stock
      2,4,5-Trifluorophenylacetic acid|CS-W015911
      209995-38-0
    • ~84%
    • In-stock
      Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate|CS-0101388
      769195-26-8

    References

    • Kubryk, Michele; Hansen, Karl B. Tetrahedron Asymmetry, 2006 , vol. 17, # 2 p. 205 - 209
  • Route2

    References

    • GENERICS [UK] LIMITED; MYLAN INDIA PRIVATE LIMITED; GORE, Vinayak Govind; GADAKAR, Maheshkumar; BHOSLE, Priyanka; SHINDE, Suresh Patent: WO2010/131025 A1, 2010 ; Location in patent: Page/Page column 26 ;
  • Route3
    • null|null
      1253056-13-1
    • ~%
    • In-stock
      Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate|CS-0101388
      769195-26-8

    References

    • WO2010/122578 A2, ; Page/Page column 65 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.7786
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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