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7-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one

  • CAS No. 1313399-68-6

  • Cat. No. CS-0469543
  • Molecule weight240.10
  • Purity≥97%
  • MDL No.MFCD21879586

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

7-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one|CS-0469543

Structure of 1313399-68-6

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General Information

  • CAS No. 1313399-68-6
  • Cat. No. CS-0469543
  • Purity ≥97%
  • MDL No. MFCD21879586
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀BrNO
  • Molecular Weight 240.10
  • Synonym(s) None
  • SMILES O=C1N(C)CCC2=C1C=C(Br)C=C2

Description

7-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one features a brominated isoquinoline core with a methyl substituent at the 2-position, enabling selective functionalization in synthetic routes. The lactam moiety enhances solubility and stability under standard conditions, while the electron-withdrawing bromine facilitates cross-coupling reactions. This scaffold serves as a key building block for bioactive molecule synthesis.

Application

7-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one serves as a versatile scaffold for medicinal chemistry and synthetic organic applications. The bromine substituent enables palladium-catalyzed cross-coupling reactions, while the ketone functionality supports nucleophilic additions and reductive transformations. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate efficient derivatization in drug discovery 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.0772
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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