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CS-W001157 4
Total: USD 88.00

5-Ethynyl-1-methyl-1H-indole

  • CAS No. 61640-21-9

  • Cat. No. CS-0611417
  • Purity≥98%
  • MDL No.None

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

5-Ethynyl-1-methyl-1H-indole|CS-0611417

Structure of 61640-21-9

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General Information

  • CAS No. 61640-21-9
  • Cat. No. CS-0611417
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉N
  • Molecular Weight 155.20
  • Synonym(s) 1H-Indole,5-ethynyl-1-methyl-(9CI)
  • SMILES CN1C=CC2=C1C=CC(C#C)=C2

Synthesis

  • Route1
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      941576-03-0
    • ~%
    • 5-Ethynyl-1-methyl-1H-indole|CS-0611417
      61640-21-9

    References

    • Flynn, Bernard L.; Gill, Gurmit S.; Grobelny, Damian W.; Chaplin, Jason H.; Paul, Dharam; Leske, Annabell F.; Lavranos, Tina C.; Chalmers, David K.; Charman, Susan A.; Kostewicz, Edmund; Shackleford, David M.; Morizzi, Julia; Hamel, Ernest; Jung, M. Katherine; Kremmidiotis, Gabriel Journal of Medicinal Chemistry, 2011 , vol. 54, # 17 p. 6014 - 6027
  • Route2

    References

    • BIONOMICS LIMITED Patent: WO2008/70908 A1, 2008 ; Location in patent: Page/Page column 55; 56 ;
  • Route3

    References

    • Dalgleish, Simon; Labram, John G.; Li, Zhe; Wang, Jianpu; McNeill, Christopher R.; Anthopoulos, Thomas D.; Greenham, Neil C.; Robertson, Neil Journal of Materials Chemistry, 2011 , vol. 21, # 39 p. 15422 - 15430

Safety Information

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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

Quality Control

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Computational Chemistry Data

  • TPSA   4.93
  • LogP   2.1596
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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