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CS-W001157 4
Total: USD 88.00

6,6-Dimethyl-5,7-dihydro-1H-indol-4-one

  • CAS No. 20955-75-3

  • Cat. No. CS-0061118
  • Molecule weight163.22
  • Purity95+%
  • MDL No.None

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

6,6-Dimethyl-5,7-dihydro-1H-indol-4-one|CS-0061118

Structure of 20955-75-3

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General Information

  • CAS No. 20955-75-3
  • Cat. No. CS-0061118
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO
  • Molecular Weight 163.22
  • Synonym(s) 6,6-Dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
  • SMILES CC1(C)CC2=C(C=CN2)C(=O)C1

Synthesis

  • Route1
    • 6,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one|CS-0259420
      76230-27-8
    • ~%
    • 6,6-Dimethyl-5,7-dihydro-1H-indol-4-one|CS-0061118
      20955-75-3

    References

    • SAGAMI CHEMICAL RESEARCH CENTER Patent: EP101004 B2, 1991 ;
  • Route2

    References

    • Huang, Kenneth H.; Veal, James M.; Fadden, R. Patrick; Rice, John W.; Eaves, Jeron; Strachan, Jon-Paul; Barabasz, Amy F.; Foley, Briana E.; Barta, Thomas E.; Ma, Wei; Silinski, Melanie A.; Hu, Mei; Partridge, Jeffrey M.; Scott, Anisa; DuBois, Laura G.; Freed, Tiffany; Steed, Paul M.; Ommen, Andy J.; Smith, Emilie D.; Hughes, Philip F.; Woodward, Angela R.; Hanson, Gunnar J.; McCall, W. Stephen; Markworth, Christopher J.; Hinkley, Lindsay; Jenks, Matthew; Geng, Lifeng; Lewis, Meredith; Otto, James; Pronk, Bert; Verleysen, Katleen; Hall, Steven E. Journal of Medicinal Chemistry, 2009 , vol. 52, # 14 p. 4288 - 4305
  • Route3

    References

    • Merck Sharp and Dohme Limited Patent: US6395766 B1, 2002 ; US 6395766 B1

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   32.86
  • LogP   2.1698
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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