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CS-W001157 4
Total: USD 88.00

7-Methoxyisoquinoline

  • CAS No. 39989-39-4

  • Cat. No. CS-0043907
  • Purity≥98%
  • MDL No.MFCD09030747

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

7-Methoxyisoquinoline|CS-0043907

Structure of 39989-39-4

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General Information

  • CAS No. 39989-39-4
  • Cat. No. CS-0043907
  • Purity ≥98%
  • MDL No. MFCD09030747
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO
  • Molecular Weight 159.18
  • Synonym(s) Isoquinoline, 7-methoxy-
  • SMILES COC1=CC2=C(C=C1)C=CN=C2

Description

7-Methoxyisoquinoline is a bench-stable, electron-rich heterocycle featuring a methoxy group at the 7-position that enhances solubility and modulates reactivity. This scaffold integrates readily into synthetic sequences for medicinal chemistry and materials science, offering predictable regioselectivity in electrophilic substitution and transition-metal-catalyzed coupling reactions.

Application

7-Methoxyisoquinoline serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to isoquinoline-based scaffolds. Its methoxy group enhances solubility and modulates electronic properties, facilitating subsequent C–H functionalization, palladium-catalyzed couplings, and electrophilic substitutions. The compound exhibits good bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis and lead optimization workflows.

Synthesis

  • Route1

    References

    • Akzo Nobel N.V. Patent: US6194409 B1, 2001 ;
  • Route2
    • null|null
      90908-99-9
    • ~72%
    • In-stock
      7-Methoxyisoquinoline|CS-0043907
      39989-39-4

    References

    • Middleton, Donald S.; Maw, Graham N.; Challenger, Clare; Jessiman, Alan; Johnson, Patrick S.; Million, William A.; Nichols, Carly L.; Price, Jenny A.; Trevethick, Michael Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 4 p. 905 - 910
  • Route3
    • null|null
      645-36-3
    • In-stock
      m-Anisaldehyde|CS-W007346
      591-31-1
    • ~%
    • In-stock
      7-Methoxyisoquinoline|CS-0043907
      39989-39-4

    References

    • Pfizer Inc. Patent: US6200978 B1, 2001 ; US 6200978 B1

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

Quality Control

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Computational Chemistry Data

  • TPSA   22.12
  • LogP   2.2434
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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