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CS-W001157 4
Total: USD 88.00

3-Benzyl-6-bromo-2-chloroquinoline

  • CAS No. 654655-68-2

  • Cat. No. CS-0009938
  • Molecule weight332.62
  • Purity≥98%
  • MDL No.MFCD22493487

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

3-Benzyl-6-bromo-2-chloroquinoline|CS-0009938

Structure of 654655-68-2

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General Information

  • CAS No. 654655-68-2
  • Cat. No. CS-0009938
  • Purity ≥98%
  • MDL No. MFCD22493487
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₁BrClN
  • Molecular Weight 332.62
  • Synonym(s) Bedaquiline Impurity B
  • SMILES BrC1=CC=C(N=C(Cl)C(CC2=CC=CC=C2)=C3)C3=C1

Synthesis

  • Route1
    • null|null
      68-12-2
    • N-(4-Bromophenyl)-3-phenylpropanamide Bedaquiline Impurity|CS-0181186
      316146-27-7
    • ~65%
    • In-stock
      3-Benzyl-6-bromo-2-chloroquinoline|CS-0009938
      654655-68-2

    References

    • JANSSEN PHARMACEUTICA N.V. Patent: WO2007/435 A1, 2007 ; Location in patent: Page/Page column 44 ;
  • Route2
    • N-(4-Bromophenyl)-3-phenylpropanamide Bedaquiline Impurity|CS-0181186
      316146-27-7
    • ~67%
    • In-stock
      3-Benzyl-6-bromo-2-chloroquinoline|CS-0009938
      654655-68-2

    References

    • JANSSEN PHARMACEUTICA N.V. Patent: WO2007/434 A1, 2007 ; Location in patent: Page/Page column 36-37 ;
  • Route3

    References

    • Pathak, Richa; Madapa, Sudharshan; Batra, Sanjay Tetrahedron, 2007 , vol. 63, # 2 p. 451 - 460

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   12.89
  • LogP   5.2415
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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