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CS-W001157 4
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1-(tert-Butoxycarbonyl)-1H-pyrazole-3-carboxylic acid

  • CAS No. 1252855-23-4

  • Cat. No. CS-0373037
  • Purity≥95%
  • MDL No.MFCD22681811

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

1-(tert-Butoxycarbonyl)-1H-pyrazole-3-carboxylic acid|CS-0373037

Structure of 1252855-23-4

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General Information

  • CAS No. 1252855-23-4
  • Cat. No. CS-0373037
  • Purity ≥95%
  • MDL No. MFCD22681811
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₄
  • Molecular Weight 212.20
  • Synonym(s) 1H-Pyrazole-1,3-dicarboxylic acid, 1-(1,1-dimethylethyl) ester
  • SMILES O=C(N1N=C(C(O)=O)C=C1)OC(C)(C)C

Description

This pyrazole derivative features a tert-butoxycarbonyl-protected amine and a carboxylic acid at the 3-position, enabling sequential deprotection and functionalization. The molecule integrates readily into peptide coupling workflows and serves as a stable building block for heterocyclic library synthesis under standard conditions.

Application

1-(tert-Butoxycarbonyl)-1H-pyrazole-3-carboxylic acid serves as a stable, bench-ready building block for the synthesis of pyrazole-based heterocycles. The Boc-protected amine functionality enables orthogonal handling in multi-step sequences, while the carboxylic acid group facilitates direct coupling reactions or derivatization. It functions reliably in standard peptide and medicinal chemistry workflows, offering predictable reactivity and ease of purification.

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   81.42
  • LogP   1.3645
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   1

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