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Tert-butyl 4-chloro-3-formyl-1H-indole-1-carboxylate

  • CAS No. 914349-00-1

  • Cat. No. CS-0314444
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 4-chloro-3-formyl-1H-indole-1-carboxylate|CS-0314444

Structure of 914349-00-1

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General Information

  • CAS No. 914349-00-1
  • Cat. No. CS-0314444
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄ClNO₃
  • Molecular Weight 279.72
  • Synonym(s) tert-butyl 4-chloro-3-formylindole-1-carboxylate
  • SMILES CC(C)(C)OC(=O)N1C=C(C=O)C2=C(C=CC=C21)Cl

Synthesis

  • Route1

    References

    • KATHOLIEKE UNIVERSITEIT LEUVEN; BARDIOT, Dorothée; CARLENS, Gunter; DALLMEIER, Kai; KAPTEIN, Suzanne; McNAUGHTON, Michael; MARCHAND, Arnaud; NEYTS, Johan; SMETS, Wim Patent: WO2013/45516 A1, 2013 ; Location in patent: Page/Page column 129; 151 ;

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   48.3
  • LogP   3.8904
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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