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CAS 1233086-45-7

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1-(1,1-Dimethylethyl) 2-ethyl 5-(bromomethyl)-1H-indole-1,2-dicarboxylate

Description:
1-(1,1-Dimethylethyl) 2-ethyl 5-(bromomethyl)-1H-indole-1,2-dicarboxylate, identified by its CAS number 1233086-45-7, is a synthetic organic compound that belongs to the indole family. This compound features a complex structure characterized by an indole ring, which is a bicyclic structure composed of a benzene ring fused to a pyrrole ring. The presence of multiple functional groups, including ester and bromomethyl groups, contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. The tert-butyl and ethyl substituents enhance its lipophilicity, which may influence its biological activity and solubility in organic solvents. The bromomethyl group can serve as a versatile site for further chemical modifications, making this compound of interest in the development of pharmaceuticals or agrochemicals. Its specific properties, such as melting point, boiling point, and solubility, would require empirical measurement or literature reference for precise characterization. Overall, this compound exemplifies the complexity and diversity of synthetic organic molecules used in various chemical applications.
Formula:C17H20BrNO4
InChI:InChI=1S/C17H20BrNO4/c1-5-22-15(20)14-9-12-8-11(10-18)6-7-13(12)19(14)16(21)23-17(2,3)4/h6-9H,5,10H2,1-4H3
InChI key:InChIKey=NIGWCDZLIPKLMO-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)N1C=2C(C=C1C(OCC)=O)=CC(CBr)=CC2
Synonyms:
  • 1-(1,1-Dimethylethyl) 2-ethyl 5-(bromomethyl)-1H-indole-1,2-dicarboxylate
  • 1H-Indole-1,2-dicarboxylic acid, 5-(bromomethyl)-, 1-(1,1-dimethylethyl) 2-ethyl ester
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