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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-one

  • CAS No. 1221239-08-2

  • Cat. No. CS-0102123
  • Purity≥97%
  • MDL No.MFCD16140217

*For research and further manufacturing use only, not for direct human use.

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-one|CS-0102123

Structure of 1221239-08-2

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General Information

  • CAS No. 1221239-08-2
  • Cat. No. CS-0102123
  • Purity ≥97%
  • MDL No. MFCD16140217
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₉BO₃
  • Molecular Weight 258.12
  • Synonym(s) 2,3-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)inden-1-one
  • SMILES O=C1CCC2=C1C=CC=C2B3OC(C)(C(C)(O3)C)C

Description

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-one features a boronate ester group fused to a dihydroindene scaffold, enabling efficient Suzuki-Miyaura coupling under mild conditions. This bench-stable reagent integrates seamlessly into C–C bond formation workflows, delivering high functional group tolerance and predictable regioselectivity in complex molecular architectures.

Application

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-one serves as a versatile boronate building block in palladium-catalyzed cross-coupling reactions. Its indenone core provides structural rigidity and functional group tolerance, enabling efficient incorporation into complex molecular architectures. The stable, bench-ready boronate moiety facilitates mild reaction conditions, high yields, and straightforward purification—ideal for medicinal chemistry and materials synthesis workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   2.1147
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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