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CS-W001157 4
Total: USD 88.00

1-(Tert-butyl) 7-methyl 5-bromoindoline-1,7-dicarboxylate

  • CAS No. 860624-87-9

  • Cat. No. CS-0363714
  • Purity95+%
  • MDL No.None

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

1-(Tert-butyl) 7-methyl 5-bromoindoline-1,7-dicarboxylate|CS-0363714

Structure of 860624-87-9

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General Information

  • CAS No. 860624-87-9
  • Cat. No. CS-0363714
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₈BrNO₄
  • Molecular Weight 356.21
  • Synonym(s) 1-Tert-butyl 7-methyl 5-bromoindoline-1,7-dicarboxylate
  • SMILES O=C(N1CCC2=C1C(C(OC)=O)=CC(Br)=C2)OC(C)(C)C

Synthesis

  • Route1
    • 1-(tert-Butyl) 7-methyl indoline-1,7-dicarboxylate|CS-0870708
      197460-40-5
    • ~91%
    • 1-(Tert-butyl) 7-methyl 5-bromoindoline-1,7-dicarboxylate|CS-0363714
      860624-87-9

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2008/118724 A1, 2008 ; Location in patent: Page/Page column 68 ; WO 2008/118724 A1
  • Route2

    References

    • Miller, David D.; Bamborough, Paul; Christopher, John A.; Baldwin, Ian R.; Champigny, Aurelie C.; Cutler, Geoffrey J.; Kerns, Jeffrey K.; Longstaff, Timothy; Mellor, Geoffrey W.; Morey, James V.; Morse, Mary A.; Nie, Hong; Rumsey, William L.; Taggart, John J. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 8 p. 2255 - 2258
  • Route3
    • tert-Butyl indoline-1-carboxylate|CS-0082136
      143262-10-6
    • ~%
    • 1-(Tert-butyl) 7-methyl 5-bromoindoline-1,7-dicarboxylate|CS-0363714
      860624-87-9

    References

    • Miller, David D.; Bamborough, Paul; Christopher, John A.; Baldwin, Ian R.; Champigny, Aurelie C.; Cutler, Geoffrey J.; Kerns, Jeffrey K.; Longstaff, Timothy; Mellor, Geoffrey W.; Morey, James V.; Morse, Mary A.; Nie, Hong; Rumsey, William L.; Taggart, John J. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 8 p. 2255 - 2258

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   55.84
  • LogP   3.5333
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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