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5-Bromo-3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylic acid

  • CAS No. 494833-77-1

  • Cat. No. CS-0146983
  • Purity95+%
  • MDL No.None

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

5-Bromo-3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylic acid|CS-0146983

Structure of 494833-77-1

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General Information

  • CAS No. 494833-77-1
  • Cat. No. CS-0146983
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂BrNO₄S
  • Molecular Weight 322.18
  • Synonym(s) 5-BroMo-3-tert-butoxycarbonylaMino-thiophene-2-carboxylic acid
  • SMILES O=C(C1=C(NC(OC(C)(C)C)=O)C=C(Br)S1)O

Synthesis

  • Route1
    • null|null
      124-38-9
    • ~%
    • 5-Bromo-3-((tert-butoxycarbonyl)amino)thiophene-2-carboxylic acid|CS-0146983
      494833-77-1

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2004/63186 A1, 2004 ; Location in patent: Page 36 ; WO 2004/063186 A1
  • Route2

    References

    • SANOFI-AVENTIS Patent: WO2007/93365 A2, 2007 ; Location in patent: Page/Page column 75; 96 ; WO 2007/093365 A2

Safety Information

Download SDS
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   75.63
  • LogP   3.5558
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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