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7-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one

  • CAS No. 2036075-04-2

  • Cat. No. CS-0067744
  • Molecule weight273.14
  • Purity≥97%
  • MDL No.MFCD15526612

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

7-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one|CS-0067744

Structure of 2036075-04-2

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General Information

  • CAS No. 2036075-04-2
  • Cat. No. CS-0067744
  • Purity ≥97%
  • MDL No. MFCD15526612
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₀BNO₃
  • Molecular Weight 273.14
  • Synonym(s) 7-Methyl-2-oxoindoline-5-boronic Acid Pinacol Ester
  • SMILES O=C1NC2=C(C)C=C(B3OC(C)(C)C(C)(C)O3)C=C2C1

Description

7-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one features a boronate ester handle enabling efficient Suzuki-Miyaura coupling under mild conditions. The indolinone scaffold provides a stable, electron-deficient core ideal for constructing complex heterocycles in medicinal chemistry and materials science.

Application

7-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one serves as a versatile boronate building block for palladium-catalyzed cross-coupling reactions. The indolin-2-one core provides a rigid, electron-deficient scaffold compatible with diverse transformations. The tetramethyl-substituted boronate moiety offers excellent bench stability, minimal protodeboronation, and high functional group tolerance, enabling efficient late-stage diversification in medicinal chemistry and API 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   47.56
  • LogP   1.78882
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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