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CS-W001157 4
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tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate

  • CAS No. 96551-21-2

  • Cat. No. CS-0070111
  • Purity≥97%
  • MDL No.MFCD05864361

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

tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate|CS-0070111

Structure of 96551-21-2

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General Information

  • CAS No. 96551-21-2
  • Cat. No. CS-0070111
  • Purity ≥97%
  • MDL No. MFCD05864361
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₆BrNO₂
  • Molecular Weight None
  • Synonym(s) TERT-BUTYL 3-BROMOMETHYL-INDOLE-1-CARBOXYLATE
  • SMILES O=C(OC(C)(C)C)N(C1=C2C=CC=C1)C=C2CBr

Synthesis

  • Route1

    References

    • Indiana University Foundation Patent: US5554753 A1, 1996 ;
  • Route2
    • Tert-butyl 3-methyl-1H-indole-1-carboxylate|CS-0461153
      89378-43-8
    • ~92%
    • In-stock
      tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate|CS-0070111
      96551-21-2

    References

    • Zhao, Shuo; Gan, Tong; Yu, Peng; Cook, James M. Tetrahedron Letters, 1998 , vol. 39, # 39 p. 7009 - 7012
  • Route3

    References

    • Tetrahedron Letters, , vol. 39, # 39 p. 7009 - 7012

Safety Information

Download SDS
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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   31.23
  • LogP   4.3194
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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