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Methyl 5-bromo-3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylate

  • CAS No. 946604-99-5

  • Cat. No. CS-0146986
  • Purity≥96%
  • MDL No.None

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

Methyl 5-bromo-3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylate|CS-0146986

Structure of 946604-99-5

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General Information

  • CAS No. 946604-99-5
  • Cat. No. CS-0146986
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄BrNO₄S
  • Molecular Weight 336.20
  • Synonym(s) 5-BroMo-3-tert-butoxycarbonylaMino-thiophene-2-carboxylicacidMethylester
  • SMILES O=C(C1=C(NC(OC(C)(C)C)=O)C=C(Br)S1)OC

Synthesis

  • Route1

    References

    • Chan, Laval; Das, Sanjoy K.; Reddy, T. Jagadeeswar; Poisson, Carl; Proulx, Melanie; Pereira, Oswy; Courchesne, Marc; Roy, Caroline; Wang, Wuyi; Siddiqui, Arshad; Yannopoulos, Constantin G.; Nguyen-Ba, Nghe; Labrecque, Denis; Bethell, Richard; Hamel, Martine; Courtemanche-Asselin, Philippe; L'Heureux, Lucille; David, Maud; Nicolas, Olivier; Brunette, Stephanie; Bilimoria, Darius; Bedard, Jean Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 3 p. 793 - 796

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   64.63
  • LogP   3.6442
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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