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CS-W001157 4
Total: USD 88.00

Methyl 4-(trifluoromethyl)benzoate

  • CAS No. 2967-66-0

  • Cat. No. CS-W015431
  • Molecule weight204.15
  • Purity≥95%
  • MDL No.MFCD00042324

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

Methyl 4-(trifluoromethyl)benzoate|CS-W015431

Structure of 2967-66-0

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General Information

  • CAS No. 2967-66-0
  • Cat. No. CS-W015431
  • Purity ≥95%
  • MDL No. MFCD00042324
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₂
  • Molecular Weight 204.15
  • Synonym(s) n-Methyl-4-(Trifluoromethyl) Benzoate
  • SMILES C1=CC(=CC=C1C(F)(F)F)C(OC)=O

Description

Methyl 4-(trifluoromethyl)benzoate features a strongly electron-deficient aromatic ring stabilized by the trifluoromethyl group, enabling efficient coupling in cross-coupling reactions. This bench-stable ester integrates readily into synthetic sequences requiring fluorinated aromatic motifs, offering enhanced metabolic stability and lipophilicity in medicinal chemistry applications.

Synthesis

  • Route1
    • null|null
      1415126-31-6
    • ~55%
    • In-stock
      Methyl 4-(trifluoromethyl)benzoate|CS-W015431
      2967-66-0

    References

    • Hara, Shoji; Monoi, Miki; Umemura, Ryosuke; Fuse, Chiaki Tetrahedron, 2012 , vol. 68, # 49 p. 10145 - 10150,6
  • Route2

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2004/785 A2, 2003 ; Location in patent: Page 24 ; WO 2004/000785 A2
  • Route3
    • null|null
      67-56-1
    • In-stock
      4-(Trifluoromethyl)benzoic acid|CS-W015914
      455-24-3
    • ~91%
    • In-stock
      Methyl 4-(trifluoromethyl)benzoate|CS-W015431
      2967-66-0

    References

    • Zou, Liang-Hua; Priebbenow, Daniel L.; Wang, Long; Mottweiler, Jakob; Bolm, Carsten Advanced Synthesis and Catalysis, 2013 , vol. 355, # 13 p. 2558 - 2563

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.492
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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