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CS-W001157 4
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Tert-butyl 1h-indole-2-carboxylate

  • CAS No. 84117-86-2

  • Cat. No. CS-0257709
  • Purity≥98%
  • MDL No.None

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

Tert-butyl 1h-indole-2-carboxylate|CS-0257709

Structure of 84117-86-2

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General Information

  • CAS No. 84117-86-2
  • Cat. No. CS-0257709
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₂
  • Molecular Weight 217.26
  • Synonym(s) INDOLE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
  • SMILES O=C(C(N1)=CC2=C1C=CC=C2)OC(C)(C)C

Synthesis

  • Route1

    References

    • Ludwig, Joachim; Lehr, Matthias Synthetic Communications, 2004 , vol. 34, # 20 p. 3691 - 3695
  • Route2

    References

    • Zhu, Zhiqiang; Yuan, Jiangjun; Zhou, Yirong; Qin, Yang; Xu, Jingshi; Peng, Yiyuan European Journal of Organic Chemistry, 2014 , vol. 2014, # 3 p. 511 - 514
  • Route3

    References

    • Kim, Dong H.; Guinosso, Charles J.; Buzby, George C.; Herbst, David R.; McCaully, Ronald J.; et al. Journal of Medicinal Chemistry, 1983 , vol. 26, # 3 p. 394 - 403

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 : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   3.1232
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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