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CS-W001157 4
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1-(1,2,3,4-Tetrahydroisoquinolin-6-yl)ethan-1-one

  • CAS No. 949922-27-4

  • Cat. No. CS-0272096
  • Molecule weight175.23
  • Purity≥95%
  • MDL No.None

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

1-(1,2,3,4-Tetrahydroisoquinolin-6-yl)ethan-1-one|CS-0272096

Structure of 949922-27-4

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General Information

  • CAS No. 949922-27-4
  • Cat. No. CS-0272096
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO
  • Molecular Weight 175.23
  • Synonym(s) 1-(1,2,3,4-Tetrahydroisoquinolin-6-yl)ethanone
  • SMILES CC(=O)C1=CC2=C(C=C1)CNCC2

Description

This ketone features a tetrahydroisoquinoline scaffold linked to an acetyl group, enabling direct integration into bioactive molecule synthesis. The electron-rich aromatic system enhances reactivity in coupling reactions, while the bench-stable carbonyl facilitates straightforward functionalization under standard conditions.

Application

1-(1,2,3,4-Tetrahydroisoquinolin-6-yl)ethan-1-one serves as a versatile building block for constructing substituted tetrahydroisoquinoline scaffolds prevalent in medicinal chemistry. The ketone functionality enables direct functionalization via nucleophilic addition, reductive amination, or enolate chemistry, while the aromatic core exhibits favorable stability and solubility profiles. Its bench-stable nature and compatibility with common reaction conditions facilitate efficient synthesis of bioactive intermediates.

Safety Information

Download SDS
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   29.1
  • LogP   1.5349
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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