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CS-W001157 4
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6-Methoxy-isoquinoline

  • CAS No. 52986-70-6

  • Cat. No. CS-0005444
  • Molecule weight159.18
  • Purity≥97%
  • MDL No.MFCD04114861

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

6-Methoxy-isoquinoline|CS-0005444

Structure of 52986-70-6

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General Information

  • CAS No. 52986-70-6
  • Cat. No. CS-0005444
  • Purity ≥97%
  • MDL No. MFCD04114861
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO
  • Molecular Weight 159.18
  • Synonym(s) 6-Methoxyisoquinoline
  • SMILES COC1=CC2=C(C=NC=C2)C=C1

Description

6-Methoxy-isoquinoline is a bench-stable, electron-rich heterocycle featuring a para-methoxy substituent that enhances solubility and modulates reactivity. This nitrogen-containing scaffold integrates readily into synthetic routes for bioactive molecules, offering predictable regiochemistry in electrophilic substitution and coupling reactions.

Application

6-Methoxy-isoquinoline serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to isoquinoline-based scaffolds. Its methoxy group at the 6-position provides enhanced solubility and modulates electronic properties, facilitating palladium-catalyzed cross-coupling reactions and electrophilic substitutions. Bench-stable and readily purified, it functions as a key intermediate in the synthesis of bioactive compounds and API precursors.

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

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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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