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CS-W001157 4
Total: USD 88.00

tert-Butyl 5-cyanoisoindoline-2-carboxylate

  • CAS No. 263888-56-8

  • Cat. No. CS-0208583
  • Molecule weight244.29
  • Purity95+%
  • MDL No.MFCD08234856

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

tert-Butyl 5-cyanoisoindoline-2-carboxylate|CS-0208583

Structure of 263888-56-8

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General Information

  • CAS No. 263888-56-8
  • Cat. No. CS-0208583
  • Purity 95+%
  • MDL No. MFCD08234856
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆N₂O₂
  • Molecular Weight 244.29
  • Synonym(s) TERT-BUTYL 5-CYANO-2,3-DIHYDRO-1H-ISOINDOLE-2-CARBOXYLATE
  • SMILES CC(C)(C)OC(=O)N1CC2=C(C=C(C=C2)C#N)C1

Synthesis

  • Route1
    • null|null
      557-21-1
    • null|null
      263888-57-9
    • ~88%
    • tert-Butyl 5-cyanoisoindoline-2-carboxylate|CS-0208583
      263888-56-8

    References

    • Austin, Nigel E; Avenell, Kim Y; Boyfield, Izzy; Branch, Clive L; Hadley, Michael S; Jeffrey, Phillip; Johnson, Christopher N; Macdonald, Gregor J; Nash, David J; Riley, Graham J; Smith, Alexander B; Stemp, Geoffrey; Thewlis, Kevin M; Vong, Antonio K.K; Wood, Martyn D Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 5 p. 685 - 688
  • Route2
    • tert-Butyl 5-carbamoylisoindoline-2-carboxylate|CS-0670098
      685565-18-8
    • ~%
    • tert-Butyl 5-cyanoisoindoline-2-carboxylate|CS-0208583
      263888-56-8

    References

    • GLAXO GROUP LIMITED Patent: WO2004/37788 A1, 2004 ; Location in patent: Page 15 ; WO 2004/037788 A1
  • Route3

    References

    • Austin, Nigel E; Avenell, Kim Y; Boyfield, Izzy; Branch, Clive L; Hadley, Michael S; Jeffrey, Phillip; Johnson, Christopher N; Macdonald, Gregor J; Nash, David J; Riley, Graham J; Smith, Alexander B; Stemp, Geoffrey; Thewlis, Kevin M; Vong, Antonio K.K; Wood, Martyn D Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 5 p. 685 - 688

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   53.33
  • LogP   2.80898
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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