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CS-W001157 4
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1-(3-Bromophenyl)-2-phenylethane-1,2-dione

  • CAS No. 40396-54-1

  • Cat. No. CS-0697347
  • Purity≥98%
  • MDL No.None

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

1-(3-Bromophenyl)-2-phenylethane-1,2-dione|CS-0697347

Structure of 40396-54-1

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General Information

  • CAS No. 40396-54-1
  • Cat. No. CS-0697347
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉BrO₂
  • Molecular Weight 289.12
  • Synonym(s) None
  • SMILES BrC1=CC=CC(=C1)C(=O)C(=O)C1=CC=CC=C1

Description

This 1-(3-Bromophenyl)-2-phenylethane-1,2-dione features a brominated phenyl ring paired with a diketone moiety, enabling direct functionalization in cross-coupling and cyclization reactions. The electron-deficient carbonyl groups facilitate nucleophilic attack, while the sterically accessible aryl bromide allows for palladium-catalyzed transformations under standard conditions.

Application

1-(3-Bromophenyl)-2-phenylethane-1,2-dione serves as a versatile diaryl diketone building block for the synthesis of heterocyclic scaffolds and functionalized biaryl systems. Its brominated aryl moiety enables subsequent cross-coupling reactions, while the 1,2-dione functionality facilitates condensation and cyclization processes under mild conditions. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   3.5147
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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