1-tert-butyl 2-methyl 1H-indole-1,2-dicarboxylate
$450.00
CAS No.: 163229-48-9
Catalog No.: 192671
Purity: 95%
MF: C15H17NO4
MW: 275.304
Storage: 2-8 degree Celsius
SMILES: N1(C(=CC2=CC=CC=C12)C(=O)OC)C(=O)OC(C)(C)C
Catalog No.: 192671
Purity: 95%
MF: C15H17NO4
MW: 275.304
Storage: 2-8 degree Celsius
SMILES: N1(C(=CC2=CC=CC=C12)C(=O)OC)C(=O)OC(C)(C)C
1-tert-butyl 2-methyl 1H-indole-1,2-dicarboxylate; CAS No.: 163229-48-9; 1-tert-butyl 2-methyl 1H-indole-1,2-dicarboxylate. PROPERTIES: This dicarboxylate ester of indole has molecular formula C14H15N2O4. It generally appears as a colorless crystalline solid. The 1-tert-butyl 2-methyl 1H-indole-1,2-dicarboxylate demonstrates limited water solubility but good solubility in polar aprotic solvents like acetone and ethyl acetate. Its melting point ranges between 120-123 C, and it has a molecular weight of approximately 271.28 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 2-methyl 1H-indole-1,2-dicarboxylate serves 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 functions 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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