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4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-fluorobenzoic acid

  • CAS No. 1121596-45-9

  • Cat. No. CS-0345317
  • Molecule weight324.35
  • Purity≥98%
  • MDL No.MFCD11872516

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

4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-fluorobenzoic acid|CS-0345317

Structure of 1121596-45-9

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General Information

  • CAS No. 1121596-45-9
  • Cat. No. CS-0345317
  • Purity ≥98%
  • MDL No. MFCD11872516
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₁FN₂O₄
  • Molecular Weight 324.35
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(N2CCN(C(OC(C)(C)C)=O)CC2)C=C1F

Description

This fluorinated piperazine carboxylic acid features a tert-butoxycarbonyl-protected amine, enabling straightforward deprotection during peptide coupling. The para-fluoro substituent enhances metabolic stability and modulates electronic properties for targeted bioconjugation applications.

Application

4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)-2-fluorobenzoic acid serves as a versatile building block for medicinal chemistry campaigns, enabling the synthesis of fluorinated bioactive scaffolds. The tert-butoxycarbonyl (Boc) group provides stable protection of the piperazine nitrogen, facilitating orthogonal functionalization and simplifying purification. Its compatibility with standard coupling reactions and robust bench stability make it ideal for multi-step synthesis workflows in API development.

Safety Information

Download SDS
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   70.08
  • LogP   2.581
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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