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CS-W001157 4
Total: USD 88.00

2-(tert-Butyl)-1H-indol-5-amine

  • CAS No. 682357-49-9

  • Cat. No. CS-0147722
  • Molecule weight188.27
  • Purity≥98%
  • MDL No.MFCD04037904

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

2-(tert-Butyl)-1H-indol-5-amine|CS-0147722

Structure of 682357-49-9

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General Information

  • CAS No. 682357-49-9
  • Cat. No. CS-0147722
  • Purity ≥98%
  • MDL No. MFCD04037904
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆N₂
  • Molecular Weight 188.27
  • Synonym(s) 2-TERT-BUTYL-1H-INDOL-5-AMINE
  • SMILES NC1=CC2=C(NC(C(C)(C)C)=C2)C=C1

Synthesis

  • Route1
    • 2-(tert-Butyl)-5-nitro-1H-indole|CS-0147720
      174274-85-2
    • ~94%
    • 2-(tert-Butyl)-1H-indol-5-amine|CS-0147722
      682357-49-9

    References

    • Rigel pharmaceuticals, Inc. Patent: WO2004/35571 A1, 2004 ; Location in patent: Page 25 ;
  • Route2

    References

    • Kuyper, Lee F.; Baccanari, David P.; Jones, Michael L.; Hunter, Robert N.; Tansik, Robert L.; Joyner, Suzanne S.; Boytos, Christine M.; Rudolph, Sharon K.; Knick, Vince; Wilson, H. Robert; Caddell, J. Marc; Friedman, Henry S.; Comley, John C. W.; Stables, Jeremy N. Journal of Medicinal Chemistry, 1996 , vol. 39, # 4 p. 892 - 903
  • Route3
    • null|null
      917-92-0
    • ~%
    • 2-(tert-Butyl)-1H-indol-5-amine|CS-0147722
      682357-49-9

    References

    • Kuyper, Lee F.; Baccanari, David P.; Jones, Michael L.; Hunter, Robert N.; Tansik, Robert L.; Joyner, Suzanne S.; Boytos, Christine M.; Rudolph, Sharon K.; Knick, Vince; Wilson, H. Robert; Caddell, J. Marc; Friedman, Henry S.; Comley, John C. W.; Stables, Jeremy N. Journal of Medicinal Chemistry, 1996 , vol. 39, # 4 p. 892 - 903

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS09
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319-H411
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.81
  • LogP   3.0476
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   0

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