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CS-W001157 4
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1-Methylisoquinolin-3-ol

  • CAS No. 16535-89-0

  • Cat. No. CS-0212587
  • Molecule weight159.18
  • Purity≥98%
  • MDL No.MFCD11053887

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

1-Methylisoquinolin-3-ol|CS-0212587

Structure of 16535-89-0

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General Information

  • CAS No. 16535-89-0
  • Cat. No. CS-0212587
  • Purity ≥98%
  • MDL No. MFCD11053887
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO
  • Molecular Weight 159.18
  • Synonym(s) 1-methyl-2H-isoquinolin-3-one
  • SMILES CC1=NC(=CC2=CC=CC=C12)O

Synthesis

  • Route1
    • Methyl 2-(2-acetylphenyl)acetate|CS-1718798
      16535-88-9
    • ~%
    • 1-Methylisoquinolin-3-ol|CS-0212587
      16535-89-0

    References

    • Allan, Kevin M.; Hong, Boram D.; Stoltz, Brian M. Organic and Biomolecular Chemistry, 2009 , vol. 7, # 23 p. 4960 - 4964
  • Route2
    • null|null
      117330-48-0
    • ~91%
    • 1-Methylisoquinolin-3-ol|CS-0212587
      16535-89-0

    References

    • Alpha, Beatrice; Anklam, Elke; Deschenaux, Robert; Lehn, Jean-Marie; Pietraskiewicz, Marek Helvetica Chimica Acta, 1988 , vol. 71, p. 1042 - 1052
  • Route3
    • 2-(2-Acetylphenyl)acetonitrile|CS-0667928
      58422-85-8
    • ~%
    • 1-Methylisoquinolin-3-ol|CS-0212587
      16535-89-0

    References

    • Tetrahedron Letters, , vol. 36, # 49 p. 8941 - 8944

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.12
  • LogP   2.24882
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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