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tert-Butyl (5-chlorothiophen-2-yl)carbamate

  • CAS No. 63806-71-3

  • Cat. No. CS-0131555
  • Purity≥97%
  • MDL No.63806-71-3MDL:MFCD06659528

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

tert-Butyl (5-chlorothiophen-2-yl)carbamate|CS-0131555

Structure of 63806-71-3

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General Information

  • CAS No. 63806-71-3
  • Cat. No. CS-0131555
  • Purity ≥97%
  • MDL No. 63806-71-3MDL:MFCD06659528
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂ClNO₂S
  • Molecular Weight 233.72
  • Synonym(s) (5-CHLORO-THIOPHEN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
  • SMILES O=C(OC(C)(C)C)NC1=CC=C(Cl)S1

Synthesis

  • Route1
    • 5-Chlorothiophene-2-carboxylic acid Rivaroxaban impurity|CS-0169291
      24065-33-6
    • null|null
      75-65-0
    • ~%
    • In-stock
      tert-Butyl (5-chlorothiophen-2-yl)carbamate|CS-0131555
      63806-71-3

    References

    • Whittamore, Paul R.O.; Addie, Matthew S.; Bennett, Stuart N.L.; Birch, Alan M.; Butters, Michael; Godfrey, Linda; Kenny, Peter W.; Morley, Andrew D.; Murray, Paul M.; Oikonomakos, Nikos G.; Otterbein, Ludovic R.; Pannifer, Andrew D.; Parker, Jeremy S.; Readman, Kristy; Siedlecki, Pawel S.; Schofield, Paul; Stocker, Andy; Taylor, Melvyn J.; Townsend, Linda A.; Whalley, David P.; Whitehouse, Jennifer Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 21 p. 5567 - 5571
  • Route2
    • 5-Chlorothiophene-2-carboxylic acid Rivaroxaban impurity|CS-0169291
      24065-33-6
    • ~%
    • In-stock
      tert-Butyl (5-chlorothiophen-2-yl)carbamate|CS-0131555
      63806-71-3

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2004/31194 A1, 2004 ; Location in patent: Page 16 ; WO 2004/031194 A1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   3.7485
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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