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CS-W001157 4
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Tert-butyl benzo[d][1,3]dioxol-5-ylcarbamate

  • CAS No. 333749-47-6

  • Cat. No. CS-0548026
  • Purity≥98%
  • MDL No.None

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

Tert-butyl benzo[d][1,3]dioxol-5-ylcarbamate|CS-0548026

Structure of 333749-47-6

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General Information

  • CAS No. 333749-47-6
  • Cat. No. CS-0548026
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₄
  • Molecular Weight 237.25
  • Synonym(s) Carbamic acid, 1,3-benzodioxol-5-yl-, 1,1-dimethylethyl ester (9CI)
  • SMILES CC(C)(C)OC(=O)NC1=CC2=C(C=C1)OCO2

Synthesis

  • Route1

    References

    • Huang, Xiaohua; Anderson, Kevin W.; Zim, Danilo; Jiang, Lei; Klapars, Artis; Buchwald, Stephen L. Journal of the American Chemical Society, 2003 , vol. 125, # 22 p. 6653 - 6655
  • Route2

    References

    • Isley, Nicholas A.; Dobarco, Sebastian; Lipshutz, Bruce H. Green Chemistry, 2014 , vol. 16, # 3 p. 1480 - 1488
  • Route3

    References

    • Joensson, Stig; Andersson, Gunnar; Fex, Tomas; Fristedt, Tomas; Hedlund, Gunnar; Jansson, Karl; Abramo, Lisbeth; Fritzson, Ingela; Pekarski, Olga; Runstroem, Anna; Sandin, Helena; Thuvesson, Ingela; Bjoerk, Anders Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 2075 - 2088

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-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

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Computational Chemistry Data

  • TPSA   56.79
  • LogP   2.7623
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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