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CS-W001157 4
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6-Bromo-1,3,3-trimethylindolin-2-one

  • CAS No. 1190861-69-8

  • Cat. No. CS-0068948
  • Purity≥98%
  • MDL No.MFCD28133542

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

6-Bromo-1,3,3-trimethylindolin-2-one|CS-0068948

Structure of 1190861-69-8

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General Information

  • CAS No. 1190861-69-8
  • Cat. No. CS-0068948
  • Purity ≥98%
  • MDL No. MFCD28133542
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂BrNO
  • Molecular Weight 254.12
  • Synonym(s) 6-bromo-1,3,3-trimethylindol-2-one
  • SMILES O=C1N(C)C2=C(C=CC(Br)=C2)C1(C)C

Description

6-Bromo-1,3,3-trimethylindolin-2-one features a brominated indolinone scaffold with enhanced stability and solubility in organic media. The electron-deficient aryl bromide enables efficient cross-coupling reactions, while the sterically shielded 3,3-dimethyl substitution prevents undesired side reactions. This compound serves as a key building block for synthesizing bioactive heterocycles under standard coupling conditions.

Application

6-Bromo-1,3,3-trimethylindolin-2-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C6 position via palladium-catalyzed cross-coupling reactions. Its indolinone core provides inherent stability and compatibility with diverse reaction conditions, while the bromo group facilitates efficient derivatization. The trimethyl substitution enhances solubility and reduces aggregation during synthesis, supporting scalable access to complex heterocyclic scaffolds relevant to kinase inhibitor development.

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.7031
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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