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CS-W001157 4
Total: USD 88.00

6-Bromo-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline

  • CAS No. 252331-63-8

  • Cat. No. CS-D0108
  • Purity≥97%
  • MDL No.MFCD19689657

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

6-Bromo-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline|CS-D0108

Structure of 252331-63-8

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General Information

  • CAS No. 252331-63-8
  • Cat. No. CS-D0108
  • Purity ≥97%
  • MDL No. MFCD19689657
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉BrF₃NO
  • Molecular Weight 308.09
  • Synonym(s) 1-(6-bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethanone
  • SMILES FC(F)(F)C(N1CC2=C(C=C(Br)C=C2)CC1)=O

Synthesis

  • Route1
    • null|null
      50-00-0
    • N-(3-Bromophenethyl)-2,2,2-Trifluoroacetamide|CS-0766881
      215797-81-2
    • ~33%
    • 6-Bromo-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline|CS-D0108
      252331-63-8
    • 1-(8-Bromo-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone|CS-0766889
      726136-49-8

    References

    • Millennium Pharmaceuticals, Inc. Patent: US2008/171754 A1, 2008 ; Location in patent: Page/Page column 102 ; US 20080171754 A1
  • Route2
    • null|null
      50-00-0
    • N-(4-Bromophenethyl)-2,2,2-trifluoroacetamide|CS-0168584
      181514-21-6
    • ~94%
    • 6-Bromo-2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinoline|CS-D0108
      252331-63-8

    References

    • ASTRAZENECA AB Patent: WO2004/60882 A1, 2004 ; Location in patent: Page 36 ; WO 2004/060882 A1
  • Route3

    References

    • Kureha Corporation Patent: EP1724263 A1, 2006 ; Location in patent: Page/Page column 40 ;

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   20.31
  • LogP   2.8961
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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