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3-((tert-Butoxycarbonyl)amino)-2-(4-fluorobenzyl)propanoic acid

  • CAS No. 1255099-58-1

  • Cat. No. CS-0200071
  • Molecule weight297.32
  • Purity≥97%
  • MDL No.None

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

3-((tert-Butoxycarbonyl)amino)-2-(4-fluorobenzyl)propanoic acid|CS-0200071

Structure of 1255099-58-1

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General Information

  • CAS No. 1255099-58-1
  • Cat. No. CS-0200071
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀FNO₄
  • Molecular Weight 297.32
  • Synonym(s) 3-(Boc-amino)-2-(4-fluorobenzyl)propanoic acid
  • SMILES CC(C)(OC(NCC(C(O)=O)CC1=CC=C(F)C=C1)=O)C

Description

This protected amino acid derivative features a tert-butoxycarbonyl group for selective amine handling, paired with a 4-fluorobenzyl side chain that enhances solubility and metabolic stability. The carboxylic acid functionality enables direct coupling in peptide synthesis workflows under standard conditions.

Application

3-((tert-Butoxycarbonyl)amino)-2-(4-fluorobenzyl)propanoic acid serves as a versatile building block for peptide and medicinal chemistry applications, enabling the synthesis of bioactive scaffolds via standard amine and carboxylic acid transformations. The tert-butyl ester provides excellent bench stability and orthogonal protection, while the 4-fluorobenzyl group offers favorable electronic and steric properties for downstream functionalization. Facile deprotection under mild acidic conditions enables straightforward access to the free amino acid derivative.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   75.63
  • LogP   2.5937
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   5

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