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CS-W001157 4
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6-Bromo-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]-2-one

  • CAS No. 1190861-43-8

  • Cat. No. CS-0130728
  • Purity≥97%
  • MDL No.None

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

6-Bromo-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]-2-one|CS-0130728

Structure of 1190861-43-8

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General Information

  • CAS No. 1190861-43-8
  • Cat. No. CS-0130728
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂BrNO₂
  • Molecular Weight 282.13
  • Synonym(s) 6-bromospiro[1H-indole-3,4'-oxane]-2-one
  • SMILES O=C1NC2=C(C=CC(Br)=C2)C13CCOCC3

Synthesis

  • Route1
    • tert-butyl 6-bromo-2-oxo-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]-1-carboxylate|CS-1007050
      1190861-47-2
    • ~99%
    • In-stock
      6-Bromo-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]-2-one|CS-0130728
      1190861-43-8

    References

    • Laboratorios Almirall, S.A. Patent: EP2113503 A1, 2009 ; Location in patent: Page/Page column 24 ;
  • Route2
    • null|null
      1202765-53-4
    • ~70%
    • In-stock
      6-Bromo-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]-2-one|CS-0130728
      1190861-43-8

    References

    • Gonzalez-Lopez De Turiso, Felix; Shin, Youngsook; Brown, Matthew; Cardozo, Mario; Chen, Yi; Fong, David; Hao, Xiaolin; He, Xiao; Henne, Kirk; Hu, Yi-Ling; Johnson, Michael G.; Kohn, Todd; Lohman, Julia; McBride, Helen J.; McGee, Lawrence R.; Medina, Julio C.; Metz, Daniela; Miner, Kent; Mohn, Deanna; Pattaropong, Vatee; Seganish, Jennifer; Simard, Jillian L.; Wannberg, Sharon; Whittington, Douglas A.; Yu, Gang; Cushing, Timothy D. Journal of Medicinal Chemistry, 2012 , vol. 55, # 17 p. 7667 - 7685
  • Route3

    References

    • Eastwood, Paul; Gonzalez, Jacob; Gomez, Elena; Caturla, Francisco; Balague, Cristina; Orellana, Adelina; Dominguez, Maria Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 18 p. 5270 - 5273

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   38.33
  • LogP   2.4494
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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