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CS-W001157 4
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1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione

  • CAS No. 4290-87-3

  • Cat. No. CS-0264776
  • Purity95+%
  • MDL No.None

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

1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione|CS-0264776

Structure of 4290-87-3

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General Information

  • CAS No. 4290-87-3
  • Cat. No. CS-0264776
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇NO₂
  • Molecular Weight 185.18
  • Synonym(s) 1-(2-Propynyl)-1H-indole-2,3-dione
  • SMILES C#CCN1C2=CC=CC=C2C(=O)C1=O

Synthesis

  • Route1

    References

    • Singh, Harjinder; Sindhu, Jayant; Khurana, Jitender M.; Sharma, Chetan; Aneja European Journal of Medicinal Chemistry, 2014 , vol. 77, p. 145 - 154
  • Route2
    • null|null
      106-96-7
    • ~99%
    • 1-(Prop-2-yn-1-yl)-2,3-dihydro-1h-indole-2,3-dione|CS-0264776
      4290-87-3

    References

    • AstraZeneca AB Patent: US2007/185179 A1, 2007 ; Location in patent: Page/Page column 5; 9 ; US 20070185179 A1
  • Route3

    References

    • Shanmugam, Ponnusamy; Vaithiyanathan, Vadivel Canadian Journal of Chemistry, 2009 , vol. 87, # 4 p. 591 - 599

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   37.38
  • LogP   0.8491
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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