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Methyl 2-(4-chlorobenzenesulfonyl)acetate

  • CAS No. 15446-25-0

  • Cat. No. CS-0236121
  • Purity≥95%
  • MDL No.None

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

Methyl 2-(4-chlorobenzenesulfonyl)acetate|CS-0236121

Structure of 15446-25-0

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General Information

  • CAS No. 15446-25-0
  • Cat. No. CS-0236121
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClO₄S
  • Molecular Weight 248.68
  • Synonym(s) Methyl [(4-chlorophenyl)sulfonyl]acetate
  • SMILES O=C(OC)CS(=O)(C1=CC=C(Cl)C=C1)=O

Synthesis

  • Route1
    • (4-Chloro-benzenesulfonyl)-acetic acid|CS-0072651
      3405-89-8
    • null|null
      74-88-4
    • ~90%
    • Methyl 2-(4-chlorobenzenesulfonyl)acetate|CS-0236121
      15446-25-0

    References

    • PRONOXIS AB; Wallner, Karl Fredrik; Olofsson, Jan Peter; Hultqvist, Malin Kristin; Pelcman, Benjamin Harry Patent: US2014/18384 A1, 2014 ; Location in patent: Paragraph 0188; 0189 ;
  • Route2

    References

    • RICHTER GEDEON NYRT.; VASTAG, Monika Patent: WO2008/155588 A1, 2008 ; Location in patent: Page/Page column 29 ; WO 2008/155588 A1
  • Route3

    References

    • Mirskova, A.N.; Kryukova, Yu.I.; Levkovskaya, G.G.; Guseva, S.A.; Voronkov, M.G. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, # 3 p. 545 - 550 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 3 p. 602 - 608

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-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   1.2867
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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