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CS-W001157 4
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5-Bromo-3,3-diethyl-1,3-dihydro-2h-indol-2-one

  • CAS No. 304876-06-0

  • Cat. No. CS-0116631
  • Molecule weight268.15
  • Purity≥95%
  • MDL No.None

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

5-Bromo-3,3-diethyl-1,3-dihydro-2h-indol-2-one|CS-0116631

Structure of 304876-06-0

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General Information

  • CAS No. 304876-06-0
  • Cat. No. CS-0116631
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄BrNO
  • Molecular Weight 268.15
  • Synonym(s) 5-bromo-3,3-diethyl-2,3-dihydro-1H-indol-2-one
  • SMILES O=C1NC2=C(C=C(Br)C=C2)C1(CC)CC

Synthesis

  • Route1
    • 3,3-Diethylindolin-2-one|CS-0966265
      53204-33-4
    • ~83%
    • 5-Bromo-3,3-diethyl-1,3-dihydro-2h-indol-2-one|CS-0116631
      304876-06-0

    References

    • Wyeth Patent: US2006/30615 A1, 2006 ; Location in patent: Page/Page column 8 ;
  • Route2

    References

    • Fensome, Andrew; Bender, Reinhold; Cohen, Jeffrey; Collins, Mark A; Mackner, Valerie A; Miller, Lori L; Ullrich, John W; Winneker, Richard; Wrobel, Jay; Zhang, Puwen; Zhang, Zhiming; Zhu, Yuan Bioorganic and medicinal chemistry letters, 2002 , vol. 12, # 23 p. 3487 - 3490

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   3.459
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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