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trans-1-Boc-4-(4-trifluoromethylphenyl)-pyrrolidine-3-carboxylic acid

  • CAS No. 955137-85-6

  • Cat. No. CS-0053805
  • Molecule weight359.34
  • Purity≥97%
  • MDL No.None

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

trans-1-Boc-4-(4-trifluoromethylphenyl)-pyrrolidine-3-carboxylic acid|CS-0053805

Structure of 955137-85-6

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General Information

  • CAS No. 955137-85-6
  • Cat. No. CS-0053805
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₀F₃NO₄
  • Molecular Weight 359.34
  • Synonym(s) (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid
  • SMILES O=C(N1C[C@H](C(O)=O)[C@@H](C2=CC=C(C(F)(F)F)C=C2)C1)OC(C)(C)C

Description

trans-1-Boc-4-(4-trifluoromethylphenyl)-pyrrolidine-3-carboxylic acid features a rigid trans-configured pyrrolidine core bearing a Boc-protected amine and a para-trifluoromethylphenyl group. This electron-deficient aryl moiety enhances metabolic stability, while the bench-stable Boc protection simplifies downstream derivatization in peptide and medicinal chemistry workflows.

Application

trans-1-Boc-4-(4-trifluoromethylphenyl)-pyrrolidine-3-carboxylic acid serves as a stable, bench-ready building block for the synthesis of bioactive heterocycles and peptidomimetics. Its trans-configured pyrrolidine core, combined with orthogonal Boc protection and a para-trifluoromethylphenyl group, enables efficient functionalization in standard coupling and reduction reactions. The molecule exhibits excellent stability and facilitates purification via standard chromatographic methods, making it well-suited for iterative medicinal chemistry campaigns and API intermediate development.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   66.84
  • LogP   3.7405
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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