1-tert-butyl 6-methyl 1H-indazole-1,6-dicarboxylate
$330.00
CAS No.: 1126424-50-7
Catalog No.: 192647
Purity: 95%
MF: C14H16N2O4
MW: 276.292
Storage: 2-8 degree Celsius
SMILES: N1(N=CC2=CC=C(C=C12)C(=O)OC)C(=O)OC(C)(C)C
Catalog No.: 192647
Purity: 95%
MF: C14H16N2O4
MW: 276.292
Storage: 2-8 degree Celsius
SMILES: N1(N=CC2=CC=C(C=C12)C(=O)OC)C(=O)OC(C)(C)C
1-tert-butyl 6-methyl 1H-indazole-1,6-dicarboxylate; CAS No.: 1126424-50-7; 1-tert-butyl 6-methyl 1H-indazole-1,6-dicarboxylate. PROPERTIES: This dicarboxylate ester of indazole has molecular formula C14H15N3O4. It generally appears as a colorless to pale yellow crystalline solid. The 1-tert-butyl 6-methyl 1H-indazole-1,6-dicarboxylate exhibits limited water solubility but good solubility in polar aprotic solvents like acetone and ethyl acetate. Its melting point ranges between 132-136 C, and it has a molecular weight of approximately 289.28 g/mol. When handling, care should be taken to avoid skin contact and use of proper respiratory protection. Storage should be in a tightly sealed container at room temperature, protected from light and moisture. The compound is sensitive to strong acids and may hydrolyze to the corresponding carboxylic acids upon exposure to aqueous conditions. In case of spillage, absorb with inert material and dispose of in accordance with local regulations. APPLICATIONS: The 1-tert-butyl 6-methyl 1H-indazole-1,6-dicarboxylate is employed as a synthetic intermediate in the production of dual COX-1/COX-2 inhibitors where the dicarboxylate groups provide essential hydrogen bonding interactions with enzyme active sites (as detailed in medicinal chemistry literature). The tert-butyl group enhances metabolic stability by preventing oxidative degradation. Additionally, the compound serves as a building block in the synthesis of polymeric materials with specific thermal properties, useful in high-temperature applications with glass transition temperatures exceeding 150 C as described in polymer chemistry journals. The ester groups can be further functionalized through hydrolysis or amidation reactions to produce various derivatives for chemical research applications.
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