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CS-W001157 4
Total: USD 88.00

Tert-butyl 7-(cyanomethyl)-1H-indole-1-carboxylate

  • CAS No. 597544-18-8

  • Cat. No. CS-0367449
  • Molecule weight256.30
  • Purity95+%
  • MDL No.None

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

Tert-butyl 7-(cyanomethyl)-1H-indole-1-carboxylate|CS-0367449

Structure of 597544-18-8

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General Information

  • CAS No. 597544-18-8
  • Cat. No. CS-0367449
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₆N₂O₂
  • Molecular Weight 256.30
  • Synonym(s) 1H-Indole-1-carboxylic acid, 7-(cyanoMethyl)-, 1,1-diMethylethyl ester
  • SMILES CC(C)(C)OC(=O)N1C=CC2=CC=CC(=C21)CC#N

Synthesis

  • Route1
    • null|null
      597544-15-5
    • ~82%
    • Tert-butyl 7-(cyanomethyl)-1H-indole-1-carboxylate|CS-0367449
      597544-18-8

    References

    • Kolis, Stanley P.; Clayton, Marcella T.; Grutsch, John L.; Faul, Margaret M. Tetrahedron Letters, 2003 , vol. 44, # 30 p. 5707 - 5710
  • Route2
    • null|null
      597544-17-7
    • ~54%
    • Tert-butyl 7-(cyanomethyl)-1H-indole-1-carboxylate|CS-0367449
      597544-18-8

    References

    • Kolis, Stanley P.; Clayton, Marcella T.; Grutsch, John L.; Faul, Margaret M. Tetrahedron Letters, 2003 , vol. 44, # 30 p. 5707 - 5710
  • Route3
    • tert-Butyl 7-formyl-1H-indole-1-carboxylate|CS-0227095
      597544-14-4
    • ~%
    • Tert-butyl 7-(cyanomethyl)-1H-indole-1-carboxylate|CS-0367449
      597544-18-8

    References

    • Kolis, Stanley P.; Clayton, Marcella T.; Grutsch, John L.; Faul, Margaret M. Tetrahedron Letters, 2003 , vol. 44, # 30 p. 5707 - 5710

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

Quality Control

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Computational Chemistry Data

  • TPSA   55.02
  • LogP   3.49058
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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