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CAS 1256360-39-0

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6-Chloro-1-methyl-2,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Description:
6-Chloro-1-methyl-2,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is a complex organic compound characterized by its indole core, which is a bicyclic structure containing a fused benzene and pyrrole ring. The presence of a chlorine atom at the 6-position and a methyl group at the 1-position contributes to its unique reactivity and potential applications in medicinal chemistry. The compound features two boronate ester groups, which are derived from 4,4,5,5-tetramethyl-1,3,2-dioxaborolane, enhancing its utility in cross-coupling reactions and as a potential building block in organic synthesis. The bulky tetramethyl groups provide steric hindrance, which can influence the compound's solubility and reactivity. This compound may exhibit interesting biological activities due to its structural features, making it a candidate for further research in drug development or material science. However, specific properties such as solubility, melting point, and stability would require empirical determination or literature reference for precise characterization.
Formula:C21H30B2ClNO4
InChI:InChI=1S/C21H30B2ClNO4/c1-18(2)19(3,4)27-22(26-18)15-10-13(24)11-16-14(15)12-17(25(16)9)23-28-20(5,6)21(7,8)29-23/h10-12H,1-9H3
InChI key:InChIKey=HJRPKIBXUGLANV-UHFFFAOYSA-N
SMILES:CN1C=2C(=C(C=C(Cl)C2)B3OC(C)(C)C(C)(C)O3)C=C1B4OC(C)(C)C(C)(C)O4
Synonyms:
  • 1H-Indole, 6-chloro-1-methyl-2,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 6-Chloro-1-methyl-2,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
  • 6-Chloro-1-methylindole-2,4-diboronic acid, pinacol ester
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