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CS-W001157 4
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tert-Butyl (5-bromobenzo[d][1,3]dioxol-4-yl)carbamate

  • CAS No. 401811-77-6

  • Cat. No. CS-0154439
  • Purity≥97%
  • MDL No.None

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

tert-Butyl (5-bromobenzo[d][1,3]dioxol-4-yl)carbamate|CS-0154439

Structure of 401811-77-6

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General Information

  • CAS No. 401811-77-6
  • Cat. No. CS-0154439
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄BrNO₄
  • Molecular Weight 316.15
  • Synonym(s) TERT-BUTYL (5-BROMO-1,3-BENZODIOXOL-4-YL)CARBAMATE
  • SMILES CC(C)(OC(NC1=C(Br)C=CC2=C1OCO2)=O)C

Synthesis

  • Route1
    • In-stock
      5-Bromobenzo[1,3]dioxole-4-carboxylic acid|CS-0195091
      72744-56-0
    • null|null
      75-65-0
    • ~96%
    • In-stock
      tert-Butyl (5-bromobenzo[d][1,3]dioxol-4-yl)carbamate|CS-0154439
      401811-77-6

    References

    • Ple, Patrick A.; Green, Tim P.; Hennequin, Laurent F.; Curwen, Jon; Fennell, Michael; Allen, Jack; Lambert-Van Der Brempt, Christine; Costello, Gerard Journal of Medicinal Chemistry, 2004 , vol. 47, # 4 p. 871 - 887
  • Route2

    References

    • Sit, Sing-Yuen; Xie, Kai; Jacutin-Porte, Swanee; Boy, Kenneth M.; Seanz, James; Taber, Matthew T.; Gulwadi, Amit G.; Korpinen, Carolyn D.; Burris, Kevin D.; Molski, Thaddeus F.; Ryan, Elaine; Xu, Cen; Verdoorn, Todd; Johnson, Graham; Nichols, David E.; Mailman, Richard B. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 4 p. 715 - 734

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-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   56.79
  • LogP   3.5248
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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