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2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoro-2-methylpropanoic acid

  • CAS No. 170462-68-7

  • Cat. No. CS-0229875
  • Purity≥95%
  • MDL No.None

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

2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoro-2-methylpropanoic acid|CS-0229875

Structure of 170462-68-7

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General Information

  • CAS No. 170462-68-7
  • Cat. No. CS-0229875
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄F₃NO₄
  • Molecular Weight 257.21
  • Synonym(s) 2-[(Tert-butoxycarbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
  • SMILES CC(C)(OC(NC(C(O)=O)(C(F)(F)F)C)=O)C

Description

This trifluoromethylated amino acid derivative features a tert-butoxycarbonyl-protected amine and a sterically hindered, electron-deficient trifluoromethyl group. The combination imparts enhanced metabolic stability and favorable lipophilic character, enabling efficient incorporation into peptide-based scaffolds under standard coupling conditions.

Application

2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoro-2-methylpropanoic acid serves as a stable, bench-ready building block for the synthesis of trifluoromethylated amino acid derivatives. Its tert-butyl carbamate (Boc) protection ensures compatibility with standard peptide coupling protocols, while the trifluoromethyl and methyl groups provide enhanced metabolic stability and steric definition. The carboxylic acid functionality enables straightforward activation and incorporation into diverse scaffolds, including heterocycles and bioactive peptides.

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   75.63
  • LogP   1.9167
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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