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CS-W001157 4
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1-(6-Nitroindolin-1-yl)ethanone

  • CAS No. 22949-08-2

  • Cat. No. CS-0042602
  • Purity≥97%
  • MDL No.MFCD00022910

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

1-(6-Nitroindolin-1-yl)ethanone|CS-0042602

Structure of 22949-08-2

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General Information

  • CAS No. 22949-08-2
  • Cat. No. CS-0042602
  • Purity ≥97%
  • MDL No. MFCD00022910
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂O₃
  • Molecular Weight 206.20
  • Synonym(s) 1-Acetyl-2,3-dihydro-6-nitro-1H-indole
  • SMILES CC(N1CCC2=C1C=C([N+]([O-])=O)C=C2)=O

Synthesis

  • Route1

    References

    • PTC THERAPEUTICS, INC.; HWANG, Peter Seongwoo; TAKASUGI, James; REN, Hongyu; WILDE, Richard Gerald; TURPOFF, Anthony; AREFOLOV, Alexander; KARP, Gary Mitchell; CHEN, Guangming; CAMPBELL, Jeffrey Allen Patent: WO2006/19831 A1, 2006 ; Location in patent: Page/Page column 447 ;
  • Route2

    References

    • Okwakol, Jealux; Grivas, Spiros Heterocycles, 2005 , vol. 65, # 8 p. 1939 - 1946
  • Route3

    References

    • European Journal of Medicinal Chemistry, , vol. 40, # 2 p. 167 - 172

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   63.45
  • LogP   1.5038
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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