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CS-W001157 4
Total: USD 88.00

2-(2-Oxo-2,3-dihydro-1h-indol-3-yl)acetonitrile

  • CAS No. 54744-66-0

  • Cat. No. CS-0215367
  • Purity95+%
  • MDL No.None

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

2-(2-Oxo-2,3-dihydro-1h-indol-3-yl)acetonitrile|CS-0215367

Structure of 54744-66-0

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General Information

  • CAS No. 54744-66-0
  • Cat. No. CS-0215367
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O
  • Molecular Weight 172.18
  • Synonym(s) 1H-Indole-3-acetonitrile, 2,3-dihydro-2-oxo-
  • SMILES N#CCC1C2=CC=CC=C2NC1=O

Synthesis

  • Route1

    References

    • Morales-Rios, Martha S.; Santos-Sanchez, Norma F.; Mora-Perez, Yolanda; Joseph-Nathan, Pedro Heterocycles, 2004 , vol. 63, # 5 p. 1131 - 1142
  • Route2
    • 2-(2-Oxo-2,3-dihydro-1h-indol-3-ylidene)acetonitrile|CS-0260120
      19611-77-9
    • ~88%
    • 2-(2-Oxo-2,3-dihydro-1h-indol-3-yl)acetonitrile|CS-0215367
      54744-66-0

    References

    • Trost, Barry M.; Malhotra, Sushant; Chan, Walter H. Journal of the American Chemical Society, 2011 , vol. 133, # 19 p. 7328 - 7331
  • Route3
    • null|null
      107-14-2
    • ~%
    • 2-(2-Oxo-2,3-dihydro-1h-indol-3-yl)acetonitrile|CS-0215367
      54744-66-0

    References

    • Wenkert et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 4899,4903

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-H319
Precautionary Statements : P264-P270-P280-P305+P351+P338-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.89
  • LogP   1.63598
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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