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CS-W001157 4
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2-[[(4-Methoxy-3-nitrophenyl)methyl]thio]acetic acid

  • CAS No. 22216-44-0

  • Cat. No. CS-M2727
  • Molecule weight257.26
  • Purity≥95%
  • MDL No.MFCD09971670

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

2-[[(4-Methoxy-3-nitrophenyl)methyl]thio]acetic acid|CS-M2727

Structure of 22216-44-0

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General Information

  • CAS No. 22216-44-0
  • Cat. No. CS-M2727
  • Purity ≥95%
  • MDL No. MFCD09971670
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₅S
  • Molecular Weight 257.26
  • Synonym(s) (4-METHOXY-3-NITROBENZYL)THIO]ACETIC ACID
  • SMILES COC1=CC=C(CSCC(O)=O)C=C1[N+]([O-])=O

Synthesis

  • Route1
    • In-stock
      4-(Bromomethyl)-1-methoxy-2-nitrobenzene|CS-M2726
      61010-34-2
    • null|null
      68-11-1
    • ~96%
    • In-stock
      2-[[(4-Methoxy-3-nitrophenyl)methyl]thio]acetic acid|CS-M2727
      22216-44-0

    References

    • Reddy, M. V. Ramana; Venkatapuram, Padmavathi; Mallireddigari, Muralidhar R.; Pallela, Venkat R.; Cosenza, Stephen C.; Robell, Kimberly A.; Akula, Balaiah; Hoffman, Benjamin S.; Reddy, E. Premkumar Journal of Medicinal Chemistry, 2011 , vol. 54, # 18 p. 6254 - 6276
  • Route2
    • null|null
      68-11-1
    • null|null
      6378-19-4
    • ~95%
    • In-stock
      2-[[(4-Methoxy-3-nitrophenyl)methyl]thio]acetic acid|CS-M2727
      22216-44-0

    References

    • TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION; MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY Patent: WO2006/104668 A2, 2006 ; Location in patent: Page/Page column 32-33 ;
  • Route3

    References

    • ONCONOVA THERAPEUTICS, INC. Patent: WO2008/33475 A2, 2008 ; Location in patent: Page/Page column 53 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   89.67
  • LogP   1.9212
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   6

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