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CS-W001157 4
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5-Iodo-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester

  • CAS No. 503614-74-2

  • Cat. No. CS-0340132
  • Molecule weight345.18
  • Purity≥98%
  • MDL No.None

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

5-Iodo-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester|CS-0340132

Structure of 503614-74-2

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General Information

  • CAS No. 503614-74-2
  • Cat. No. CS-0340132
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆INO₂
  • Molecular Weight 345.18
  • Synonym(s) None
  • SMILES CC(C)(C)OC(=O)N1CCC2=CC(=CC=C21)I

Synthesis

  • Route1

    References

    • Pinto, Donald J.P.; Quan, Mimi L.; Orwat, Michael J.; Li, Yun-Long; Han, Wei; Qiao, Jennifer X.; Lam, Patrick Y.S.; Koch, Stephanie L. Patent: US2003/191115 A1, 2003 ;
  • Route2

    References

    • Varnes, Jeffrey G.; Wacker, Dean A.; Jacobson, Irina C.; Quan, Mimi L.; Ellis, Christopher D.; Rossi, Karen A.; He, Ming Y.; Luettgen, Joseph M.; Knabb, Robert M.; Bai, Steven; He, Kan; Lam, Patrick Y.S.; Wexler, Ruth R. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 23 p. 6481 - 6488

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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   29.54
  • LogP   3.5888
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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