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CS-W001157 4
Total: USD 88.00

7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid

  • CAS No. 1189107-54-7

  • Cat. No. CS-0506447
  • Molecule weight282.09
  • Purity≥98%
  • MDL No.MFCD12674984

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

7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid|CS-0506447

Structure of 1189107-54-7

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General Information

  • CAS No. 1189107-54-7
  • Cat. No. CS-0506447
  • Purity ≥98%
  • MDL No. MFCD12674984
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈BrNO₃
  • Molecular Weight 282.09
  • Synonym(s) None
  • SMILES O=C(C1=C(O)C2=CC=C(Br)C(C)=C2N=C1)O

Synthesis

  • Route1
    • Ethyl 7-bromo-4-hydroxy-8-methylquinoline-3-carboxylate|CS-0321236
      1189107-52-5
    • ~%
    • 7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid|CS-0506447
      1189107-54-7

    References

    • WO2013/96151 A1, ; Page/Page column 125 ;
  • Route2
    • 3-Bromo-2-methylaniline LCZ696 Impurity|CS-0228703
      55289-36-6
    • ~%
    • 7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid|CS-0506447
      1189107-54-7

    References

    • GLAXOSMITHKLINE LLC; BROWN, Kristin, K.; CHAI, Deping; DODSON, Christopher, S.; DUFFY, Kevin, J.; SHAW, Antony, Nicholas Patent: WO2013/96151 A1, 2013 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   70.42
  • LogP   2.70952
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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