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CAS 1345866-66-1

:

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

Description:
4-(6-Methyl-1,2,4,5-tetrazin-3-yl)benzoic acid is an organic compound characterized by its tetrazine and benzoic acid moieties. The presence of the tetrazine ring, which is a five-membered heterocyclic structure containing four nitrogen atoms, imparts unique chemical properties, including potential reactivity and stability under certain conditions. The methyl group at the 6-position of the tetrazine enhances its solubility and may influence its electronic properties. This compound typically exhibits acidic behavior due to the carboxylic acid functional group (-COOH), which can donate protons in solution. Its structure suggests potential applications in pharmaceuticals, agrochemicals, or materials science, particularly in areas requiring specific reactivity or binding properties. The compound's synthesis and characterization would involve standard organic chemistry techniques, including spectroscopy and chromatography, to confirm its identity and purity. Overall, 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)benzoic acid represents a versatile building block in organic synthesis and may have implications in various fields of research.
Formula:C10H8N4O2
InChI:InChI=1S/C10H8N4O2/c1-6-11-13-9(14-12-6)7-2-4-8(5-3-7)10(15)16/h2-5H,1H3,(H,15,16)
InChI key:InChIKey=VIRCHPVFFZGAJH-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC=C(C=C1)C=2N=NC(C)=NN2
Synonyms:
  • 4-(6-Methyl-1,2,4,5-Tetrazin-3-yl)benzoic acid
  • Benzoic acid, 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-
  • 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)benzoic acid
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