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CS-W001157 4
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Methyl 4-(2,2,2-trifluoroacetyl)benzoate

  • CAS No. 62263-12-1

  • Cat. No. CS-0566966
  • Molecule weight232.16
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(2,2,2-trifluoroacetyl)benzoate|CS-0566966

Structure of 62263-12-1

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General Information

  • CAS No. 62263-12-1
  • Cat. No. CS-0566966
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇F₃O₃
  • Molecular Weight 232.16
  • Synonym(s) P-Trifluoroacetylbenzoic acid methyl ester
  • SMILES O=C(C1=CC=C(C(C(F)(F)F)=O)C=C1)OC

Synthesis

  • Route1

    References

    • Rennhack, Andreas; Bulic, Bruno; Jumpertz, Thorsten; Ness, Julia; Baches, Sandra; Weggen, Sascha; Pietrzik, Claus U. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 21 p. 6523 - 6532,10 Title/Abstract Full Text Show Details Rennhack, Andreas; Jumpertz, Thorsten; Ness, Julia; Baches, Sandra; Pietrzik, Claus U.; Weggen, Sascha; Bulic, Bruno Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 21 p. 6523 - 6532
  • Route2

    References

    • Fujisawa; Ichikawa; Shimizu Tetrahedron Asymmetry, 1993 , vol. 4, # 6 p. 1237 - 1240
  • Route3

    References

    • Uno, Hidemitsu; Nibu, Nobumasa; Misobe, Noboru Bulletin of the Chemical Society of Japan, 1999 , vol. 72, # 6 p. 1365 - 1375

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.2182
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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