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CS-W001157 4
Total: USD 88.00

3,4-Dihydroisoquinoline

  • CAS No. 3230-65-7

  • Cat. No. CS-0155870
  • Purity≥96%
  • MDL No.MFCD00033714

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

3,4-Dihydroisoquinoline|CS-0155870

Structure of 3230-65-7

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General Information

  • CAS No. 3230-65-7
  • Cat. No. CS-0155870
  • Purity ≥96%
  • MDL No. MFCD00033714
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N
  • Molecular Weight None
  • Synonym(s) 4-DIHYDROISOQUINOLINE
  • SMILES C1=CC=C2C=NCCC2=C1

Application

3,4-Dihydroisoquinoline serves as a versatile scaffold in medicinal chemistry, enabling efficient access to isoquinoline-based drug candidates. Its saturated ring system offers enhanced solubility and metabolic stability compared to fully aromatic analogs, while retaining the capacity for selective oxidation to functionalized isoquinolines. The compound functions as a key intermediate in transition-metal-catalyzed coupling reactions and serves as a building block for heterocyclic libraries, facilitating synthesis of bioactive molecules through well-established transformation pathways.

Synthesis

  • Route1

    References

    • Al-Hiari, Yusuf M.; Bennett, Stephen J.; Cox, Brian; Davies, Robert J.; Khalaf, Abedawn I.; Waigh, Roger D.; Worsley, Alan J. Journal of Heterocyclic Chemistry, 2005 , vol. 42, # 4 p. 647 - 659
  • Route2

    References

    • Chen, Ying; Crockett, Richard D.; Wang, Xin; Larsen, Robert D.; Cui, Sheng; Faul, Margaret M. Synlett, 2013 , vol. 24, # 3 art. no. ST-2012-Y0825-C, p. 301 - 304
  • Route3

    References

    • Synlett, , # 1 p. 35 - 36

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅱ
Hazard Statements : H302-H310-H315-H319
Precautionary Statements : P262-P264-P270-P280-P330-P361-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.36
  • LogP   1.6616
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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