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CS-W001157 4
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2-(4-Methoxy-3-nitrobenzylsulfonyl)acetic acid

  • CAS No. 592542-51-3

  • Cat. No. CS-M2728
  • Molecule weight289.26
  • Purity≥95%
  • MDL No.MFCD04972549

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

2-(4-Methoxy-3-nitrobenzylsulfonyl)acetic acid|CS-M2728

Structure of 592542-51-3

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General Information

  • CAS No. 592542-51-3
  • Cat. No. CS-M2728
  • Purity ≥95%
  • MDL No. MFCD04972549
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₇S
  • Molecular Weight 289.26
  • Synonym(s) 3-Nitro-4-Methoxybenzyl Sulfonyl Acetic Acid
  • SMILES COC1=CC=C(CS(CC(O)=O)(=O)=O)C=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • Chahrour, Osama; Abdalla, Ashraf; Lam, Frankie; Midgley, Carol; Wang, Shudong Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 10 p. 3066 - 3069
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    • ~56%
    • In-stock
      2-(4-Methoxy-3-nitrobenzylsulfonyl)acetic acid|CS-M2728
      592542-51-3

    References

    • TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION Patent: US2010/305059 A1, 2010 ;
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 10 p. 3066 - 3069

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   123.81
  • LogP   0.6028
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   6

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