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CS-W001157 4
Total: USD 88.00

2,3-Dihydroisoquinoline-1,4-dione

  • CAS No. 31053-30-2

  • Cat. No. CS-0062217
  • Purity≥95%
  • MDL No.MFCD13179340

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

2,3-Dihydroisoquinoline-1,4-dione|CS-0062217

Structure of 31053-30-2

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General Information

  • CAS No. 31053-30-2
  • Cat. No. CS-0062217
  • Purity ≥95%
  • MDL No. MFCD13179340
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) dihydroisoquinoline-​
  • SMILES O=C1CNC(C2=CC=CC=C12)=O

Description

2,3-Dihydroisoquinoline-1,4-dione features a fused bicyclic core with quinone functionality, offering enhanced reactivity in transition metal-catalyzed couplings. This scaffold integrates readily into complex molecular architectures due to its electron-deficient nature and compatibility under standard bench conditions.

Application

2,3-Dihydroisoquinoline-1,4-dione serves as a versatile scaffold in medicinal chemistry, enabling efficient access to isoquinoline-based drug candidates. Its conjugated diketone system facilitates electrophilic substitution and reductive functionalization, while the saturated ring enhances metabolic stability. The compound exhibits robust bench stability and compatibility with standard coupling reactions, supporting scalable synthesis of bioactive heterocycles.

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

Quality Control

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   0.6127
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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