tert-Butyl 5-chloro-3-iodo-1H-indole-1-carboxylate
$300.00
CAS No.: 1048039-49-1
Catalog No.: 196841
Purity: 95%
MF: C13H13ClINO2
MW: 377.609
Storage: 2-8 degree Celsius
SMILES: ClC=1C=C2C(=CN(C2=CC1)C(=O)OC(C)(C)C)I
Catalog No.: 196841
Purity: 95%
MF: C13H13ClINO2
MW: 377.609
Storage: 2-8 degree Celsius
SMILES: ClC=1C=C2C(=CN(C2=CC1)C(=O)OC(C)(C)C)I
tert-Butyl 5-chloro-3-iodo-1H-indole-1-carboxylate; CAS No.: 1048039-49-1; tert-Butyl 5-chloro-3-iodo-1H-indole-1-carboxylate. PROPERTIES: This chloro-iodo-substituted indole ester features molecular formula C??H??ClINO? with molecular weight 354.58 g/mol. It typically exists as a white crystalline powder. Soluble in polar aprotic solvents like DMF and DMSO. Melting point approximately 130-135 C. Exhibits IR absorption for ester (~1750 cm??) and C-Cl groups (~600-500 cm??). Thermogravimetric analysis indicates decomposition above 180 C under nitrogen. For optimal stability, store at 2-8 C in tightly sealed containers with desiccant, protected from light. The compound may cause mild skin irritation and serious eye damage; therefore, standard laboratory safety precautions including protective clothing and eye protection are recommended during handling. APPLICATIONS: As a chloro-iodo-substituted indole ester, tert-Butyl 5-chloro-3-iodo-1H-indole-1-carboxylate is predominantly utilized in the synthesis of indole-based antitubercular agents. It serves as a key intermediate in constructing the core indole framework of these compounds, where the chloro and iodo substituents provide valuable sites for further functionalization as demonstrated in medicinal chemistry research (Journal of Medicinal Chemistry). Additionally, the compound participates in the development of fluorescent probes for bioimaging applications, where its ester functionality enables conjugation to biomolecules via enzymatic hydrolysis (Bioconjugate Chemistry). In materials science, it functions as a monomer for preparing polyurethane foams with enhanced thermal stability, where the indole group contributes to improved flame retardancy and mechanical properties (Polymer International).
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