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CS-W001157 4
Total: USD 88.00

Ethyl 3-isoquinolinecarboxylate

  • CAS No. 50458-79-2

  • Cat. No. CS-W003727
  • Purity≥98%
  • MDL No.MFCD10566077

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

Ethyl 3-isoquinolinecarboxylate|CS-W003727

Structure of 50458-79-2

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General Information

  • CAS No. 50458-79-2
  • Cat. No. CS-W003727
  • Purity ≥98%
  • MDL No. MFCD10566077
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₂
  • Molecular Weight 201.22
  • Synonym(s) Ethyl Isoquinoline-3-carboxylate
  • SMILES CCOC(C1=CC2=CC=CC=C2C=N1)=O

Synthesis

  • Route1

    References

    • IMPERIAL CHEMICAL INDUSTRIES PLC; ICI PHARMA Patent: EP381375 A1, 1990 ;
  • Route2
    • null|null
      1262842-13-6
    • ~85%
    • In-stock
      Ethyl 3-isoquinolinecarboxylate|CS-W003727
      50458-79-2

    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
  • Route3

    References

    • Meziane, Mohamed Ameziane Ait Amer; Bazureau, Jean Pierre Molecules, 2002 , vol. 7, # 2 p. 252 - 263

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   2.4115
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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