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CS-W001157 4
Total: USD 88.00

Methyl isoquinoline-1-carboxylate

  • CAS No. 27104-72-9

  • Cat. No. CS-0072990
  • Purity≥98%
  • MDL No.None

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

Methyl isoquinoline-1-carboxylate|CS-0072990

Structure of 27104-72-9

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General Information

  • CAS No. 27104-72-9
  • Cat. No. CS-0072990
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₂
  • Molecular Weight 187.19
  • Synonym(s) Methyl 1-isoquinolinecarboxylate
  • SMILES O=C(OC)C1=NC=CC2=CC=CC=C12

Synthesis

  • Route1
    • null|null
      1262842-14-7
    • ~92%
    • In-stock
      Methyl isoquinoline-1-carboxylate|CS-0072990
      27104-72-9

    References

    • Dong, Jing; Shi, Xiao-Xin; Yan, Jing-Jing; Xing, Jing; Zhang, Qiang; Xiao, Sen European Journal of Organic Chemistry, 2010 , # 36 p. 6987 - 6992
  • Route2
    • null|null
      67-56-1
    • In-stock
      Isoquinioline-1-carboxylic acid|CS-W002015
      486-73-7
    • ~93%
    • In-stock
      Methyl isoquinoline-1-carboxylate|CS-0072990
      27104-72-9

    References

    • Weitgenant, Jeremy A.; Mortison, Jonathan D.; Helquist, Paul Organic Letters, 2005 , vol. 7, # 17 p. 3609 - 3612
  • Route3

    References

    • Sterling Winthrop Inc. Patent: US5554620 A1, 1996 ;

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   39.19
  • LogP   2.0214
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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