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CS-W001157 4
Total: USD 88.00

(S)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate

  • CAS No. 115314-14-2

  • Cat. No. CS-W002298
  • Purity≥98%
  • MDL No.MFCD00064582

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

(S)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate|CS-W002298

Structure of 115314-14-2

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General Information

  • CAS No. 115314-14-2
  • Cat. No. CS-W002298
  • Purity ≥98%
  • MDL No. MFCD00064582
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₆S
  • Molecular Weight 259.24
  • Synonym(s) None
  • SMILES O=S(OC[C@@H]1CO1)(C2=CC([N+]([O-])=O)=CC=C2)=O

Description

6-Chloropyrazine-2-carboxylic acid has been used in a variety of scientific research applications. For example, it has been used to synthesize a variety of pharmaceuticals, such as anti-inflammatory drugs, anti-cancer drugs, and antifungal drugs. It has also been used in the synthesis of agrochemicals, such as insecticides, herbicides, and fungicides. In addition, 6-Cl-Pyr-2-COOH has been used in the synthesis of other heterocyclic compounds, such as pyrazolones, pyrazolines, and pyrazolopyrimidines.

Synthesis

  • Route1
    • null|null
      121-51-7
    • null|null
      60456-23-7
    • ~93%
    • In-stock
      (S)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate|CS-W002298
      115314-14-2

    References

    • Abdul-Hay, Samer; Schiefer, Isaac T.; Chandrasena, R. Esala P.; Li, Min; Abdelhamid, Ramy; Wang, Yue-Ting; Tavassoli, Ehsan; Michalsen, Bradley; Asghodom, Rezene T.; Luo, Jia; Thatcher, Gregory R. J. ACS Medicinal Chemistry Letters, 2011 , vol. 2, # 9 p. 656 - 661
  • Route2
    • null|null
      121-51-7
    • null|null
      57044-25-4
    • ~88%
    • In-stock
      (S)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate|CS-W002298
      115314-14-2

    References

    • ARCA DISCOVERY, INC.; BRISTOW, Michael, R.; PORT, Jonathan, D. Patent: WO2010/14263 A1, 2010 ; Location in patent: Page/Page column 54 ; WO 2010/014263 A1
  • Route3
    • In-stock
      (S)-3-Chloropropane-1,2-diol|CS-W011275
      60827-45-4
    • null|null
      121-51-7
    • ~71%
    • In-stock
      (S)-Oxiran-2-ylmethyl 3-nitrobenzenesulfonate|CS-W002298
      115314-14-2

    References

    • Dittrich, Torsten; Hanekop, Nils; Infed, Nacera; Schmitt, Lutz; Braun, Manfred Beilstein Journal of Organic Chemistry, 2012 , vol. 8, p. 1700 - 1704

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07,GHS08
Signal Word : Danger
UN#: 1325
Class : 4.1
Packing Group : Ⅱ
Hazard Statements : H228-H315-H319-H341
Precautionary Statements : P210-P264-P280-P370+P378

Quality Control

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Computational Chemistry Data

  • TPSA   99.04
  • LogP   0.6989
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   5

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