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1H-Indole, 5-(1-methylethyl)-

  • CAS No. 97820-51-4

  • Cat. No. CS-0029850
  • Molecule weight159.23
  • Purity≥97%
  • MDL No.MFCD13177544

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

1H-Indole, 5-(1-methylethyl)-|CS-0029850

Structure of 97820-51-4

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General Information

  • CAS No. 97820-51-4
  • Cat. No. CS-0029850
  • Purity ≥97%
  • MDL No. MFCD13177544
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N
  • Molecular Weight 159.23
  • Synonym(s) 5-isopropyl-1H-indole
  • SMILES CC(C1=CC2=C(NC=C2)C=C1)C

Synthesis

  • Route1

    References

    • Cho, Chan Sik; Lim, Hyo Kyun; Shim, Sang Chul; Kim, Tae Jeong; Choi, Heung-Jin Chemical Communications, 1998 , # 9 p. 995 - 996
  • Route2
    • null|null
      162100-48-3
    • ~85%
    • 1H-Indole, 5-(1-methylethyl)-|CS-0029850
      97820-51-4

    References

    • Bromidge, Steven M.; Dabbs, Steven; Davies, David T.; Duckworth, D. Malcolm; Forbes, Ian T.; Ham, Peter; Jones, Graham E.; King, Frank D.; Saunders, Damian V.; Starr, Susannah; Thewlis, Kevin M.; Wyman, Paul A.; Blaney, Frank E.; Naylor, Christopher B.; Bailey, Fiona; Blackburn, Thomas P.; Holland, Vicky; Kennett, Guy A.; Riley, Graham J.; Wood, Martyn D. Journal of Medicinal Chemistry, 1998 , vol. 41, # 10 p. 1598 - 1612
  • Route3

    References

    • Joshi-Pangu, Amruta; Ganesh, Madhu; Biscoe, Mark R. Organic Letters, 2011 , vol. 13, # 5 p. 1218 - 1221

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

Quality Control

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Computational Chemistry Data

  • TPSA   15.79
  • LogP   3.2913
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   1

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