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CS-W001157 4
Total: USD 88.00

2-(Isoquinolin-3-yl)acetic acid

  • CAS No. 72033-13-7

  • Cat. No. CS-0358845
  • Molecule weight187.19
  • Purity≥97%
  • MDL No.None

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

2-(Isoquinolin-3-yl)acetic acid|CS-0358845

Structure of 72033-13-7

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General Information

  • CAS No. 72033-13-7
  • Cat. No. CS-0358845
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₂
  • Molecular Weight 187.19
  • Synonym(s) 3-Isoquinolineacetic acid
  • SMILES C1=CC2=CC(=NC=C2C=C1)CC(=O)O

Synthesis

  • Route1
    • 2-(Isoquinolin-3-yl)acetonitrile|CS-0364867
      58130-44-2
    • ~99%
    • In-stock
      2-(Isoquinolin-3-yl)acetic acid|CS-0358845
      72033-13-7

    References

    • Yuan, Yunyun; Elbegdorj, Orgil; Beletskaya, Irina O.; Selley, Dana E.; Zhang, Yan Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 18 p. 5045 - 5048
  • Route2

    References

    • VIRGINIA COMMONWEALTH UNIVERSITY; ZHANG, Yan; SELLEY, Dana, E.; DEWEY, William Patent: WO2010/83384 A2, 2010 ; Location in patent: Page/Page column 65 ;
  • Route3
    • null|null
      1125-80-0
    • ~%
    • In-stock
      2-(Isoquinolin-3-yl)acetic acid|CS-0358845
      72033-13-7

    References

    • Yuan, Yunyun; Elbegdorj, Orgil; Beletskaya, Irina O.; Selley, Dana E.; Zhang, Yan Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 18 p. 5045 - 5048

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.8619
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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