CAS 1158767-36-2

1-(1,1-Dimethylethyl) 1H-indazole-1,6-dicarboxylate

Description:

1-(1,1-Dimethylethyl) 1H-indazole-1,6-dicarboxylate, identified by its CAS number 1158767-36-2, is a chemical compound that belongs to the indazole class, characterized by its bicyclic structure containing a five-membered ring fused to a six-membered ring. This compound features two carboxylate functional groups, which contribute to its potential as a versatile building block in organic synthesis and medicinal chemistry. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, potentially influencing its biological activity and solubility properties. The dicarboxylate structure may facilitate interactions with biological targets, making it of interest in drug development. Additionally, the compound's stability and reactivity can be influenced by the electronic effects of the substituents on the indazole ring. Overall, 1-(1,1-Dimethylethyl) 1H-indazole-1,6-dicarboxylate represents a unique chemical entity with potential applications in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₃H₁₄N₂O₄

InChI: InChI=1S/C13H14N2O4/c1-13(2,3)19-12(18)15-10-6-8(11(16)17)4-5-9(10)7-14-15/h4-7H,1-3H3,(H,16,17)

InChI key: InChIKey=WXWASFOHAZDMGJ-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C=2C(C=N1)=CC=C(C(O)=O)C2

Synonyms:

• 1H-Indazole-1,6-dicarboxylic acid, 1-(1,1-dimethylethyl) ester
• 1-(tert-Butoxycarbonyl)-1H-indazole-6-carboxylic acid
• 1-(1,1-Dimethylethyl) 1H-indazole-1,6-dicarboxylate