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CS-W001157 4
Total: USD 88.00

Ethyl 2-((4-methoxyphenyl)sulfonyl)acetate

  • CAS No. 2850-21-7

  • Cat. No. CS-0333363
  • Molecule weight258.29
  • Purity≥95%
  • MDL No.MFCD00054615

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

Ethyl 2-((4-methoxyphenyl)sulfonyl)acetate|CS-0333363

Structure of 2850-21-7

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General Information

  • CAS No. 2850-21-7
  • Cat. No. CS-0333363
  • Purity ≥95%
  • MDL No. MFCD00054615
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₅S
  • Molecular Weight 258.29
  • Synonym(s) Ethyl 2-[(4-methoxyphenyl)sulfonyl]acetate
  • SMILES O=C(OCC)CS(=O)(C1=CC=C(OC)C=C1)=O

Synthesis

  • Route1
    • Ethyl 2-((4-methoxyphenyl)thio)acetate|CS-0568799
      28743-98-8
    • ~99%
    • Ethyl 2-((4-methoxyphenyl)sulfonyl)acetate|CS-0333363
      2850-21-7

    References

    • American Cyanamid Company Patent: US6172057 B2, 2001 ; US 6172057 B1
  • Route2

    References

    • Aranapakam, Venkatesan; Davis, Jamie M.; Grosu, George T.; Baker, Jannie; Ellingboe, John; Zask, Arie; Levin, Jeremy I.; Sandanayaka, Vincent P.; Du, Mila; Skotnicki, Jerauld S.; DiJoseph, John F.; Sung, Amy; Sharr, Michele A.; Killar, Loran M.; Walter, Thomas; Jin, Guixian; Cowling, Rebecca; Tillett, Jeff; Zhao, Weiguang; McDevitt, Joseph; Xu, Zhang Bao Journal of Medicinal Chemistry, 2003 , vol. 46, # 12 p. 2376 - 2396
  • Route3

    References

    • van Leusen,A.M.; Strating,J. Recueil des Travaux Chimiques des Pays-Bas, 1965 , vol. 84, p. 140 - 150

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   69.67
  • LogP   1.032
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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