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CS-W001157 4
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4-(6-Methyl-1,2,4,5-tetrazin-3-yl)benzoic acid

  • CAS No. 1345866-66-1

  • Cat. No. CS-0569010
  • Purity≥98%
  • MDL No.MFCD30469092

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

4-(6-Methyl-1,2,4,5-tetrazin-3-yl)benzoic acid|CS-0569010

Structure of 1345866-66-1

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General Information

  • CAS No. 1345866-66-1
  • Cat. No. CS-0569010
  • Purity ≥98%
  • MDL No. MFCD30469092
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₄O₂
  • Molecular Weight 216.20
  • Synonym(s) None
  • SMILES O=C(O)C=1C=CC(=CC1)C2=NN=C(N=N2)C

Description

This tetrazine-functionalized benzoic acid enables efficient bioorthogonal conjugation via inverse electron-demand Diels-Alder reactions. The methyl-substituted tetrazine moiety enhances reaction kinetics while maintaining stability under physiological conditions. Designed for direct integration into peptide and protein labeling workflows, the carboxylic acid group facilitates straightforward coupling to amine-containing biomolecules.

Application

4-(6-Methyl-1,2,4,5-tetrazin-3-yl)benzoic acid serves as a versatile building block for constructing bioactive heterocyclic scaffolds. The tetrazine core enables efficient inverse electron-demand Diels–Alder reactions with strained dienophiles, facilitating rapid conjugation in synthetic and medicinal chemistry workflows. The carboxylic acid functionality provides direct handle for derivatization, while the methyl-substituted tetrazine offers enhanced bench stability and predictable reactivity. This compound functions effectively in modular synthesis of targeted pharmaceutical intermediates and probe molecules.

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   88.86
  • LogP   0.94022
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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