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CS-W001157 4
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1-(Trifluoromethyl)cyclobutanecarboxylic acid

  • CAS No. 277756-45-3

  • Cat. No. CS-W005868
  • Purity≥96%
  • MDL No.MFCD03425197

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

1-(Trifluoromethyl)cyclobutanecarboxylic acid|CS-W005868

Structure of 277756-45-3

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General Information

  • CAS No. 277756-45-3
  • Cat. No. CS-W005868
  • Purity ≥96%
  • MDL No. MFCD03425197
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇F₃O₂
  • Molecular Weight 168.11
  • Synonym(s) 1-Trifluoromethyl-cyclobutanecarboxylic acid
  • SMILES O=C(C1(C(F)(F)F)CCC1)O

Description

This trifluoromethyl-substituted cyclobutane carboxylic acid features a rigid, strained ring system that enhances metabolic stability. The electron-withdrawing trifluoromethyl group imparts strong acidity and improved lipophilicity, making it valuable for medicinal chemistry applications. Designed for use in drug discovery, it integrates readily into bioactive scaffolds via standard coupling reactions.

Application

1-(Trifluoromethyl)cyclobutanecarboxylic acid serves as a valuable building block for bioactive molecule synthesis, offering enhanced metabolic stability and lipophilicity due to the electron-withdrawing trifluoromethyl group. Its cyclobutane scaffold provides conformational rigidity, enabling precise spatial orientation in medicinal chemistry applications. The carboxylic acid functionality facilitates direct derivatization or coupling reactions, while the compound exhibits good bench stability and compatibility with standard purification methods.

Synthesis

  • Route1

    References

    • Dmowski, Wojciech; Wolniewicz, Adam Journal of Fluorine Chemistry, 2000 , vol. 102, # 1-2 p. 141 - 146

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8036
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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