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CS-W001157 4
Total: USD 88.00

Ethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate

  • CAS No. 72850-52-3

  • Cat. No. CS-0041358
  • Purity≥98%
  • MDL No.MFCD02956778

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

Ethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate|CS-0041358

Structure of 72850-52-3

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General Information

  • CAS No. 72850-52-3
  • Cat. No. CS-0041358
  • Purity ≥98%
  • MDL No. MFCD02956778
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClF₃NO₂S
  • Molecular Weight 259.63
  • Synonym(s) Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
  • SMILES O=C(C1=C(C(F)(F)F)N=C(Cl)S1)OCC

Synthesis

  • Route1
    • In-stock
      2-Amino-4-(trifluoromethyl)-5-(carbethoxy)thiazole|CS-0037014
      344-72-9
    • null|null
      110-46-3
    • ~71%
    • In-stock
      Ethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate|CS-0041358
      72850-52-3

    References

    • ELI LILLY AND COMPANY; BASTIAN, Jolie, Anne; CLAY, Julia, Marie; COHEN, Jeffrey, Daniel; HIPSKIND, Philip, Arthur; LOBB, Karen, Lynn; SALL, Daniel, Jon; WILSON (NEE TAKAKUWA), Takako; THOMPSON, Michelle, Lee Patent: WO2010/56588 A1, 2010 ; Location in patent: Page/Page column 13 ;
  • Route2
    • Ethyl 2-hydroxy-4-(trifluoromethyl)thiazole-5-carboxylate|CS-0326508
      72850-53-4
    • Ethyl (Z)-3-amino-4,4,4-trifluorobut-2-enoate|CS-1720356
      141860-78-8
    • null|null
      2757-23-5
    • ~%
    • In-stock
      Ethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate|CS-0041358
      72850-52-3

    References

    • US4251261 A1, ;
  • Route3
    • Ethyl 2-hydroxy-4-(trifluoromethyl)thiazole-5-carboxylate|CS-0326508
      72850-53-4
    • ~89%
    • In-stock
      Ethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate|CS-0041358
      72850-52-3

    References

    • Liu, Chang-Ling; Li, Miao; Chi, Hui-Wei; Hou, Chun-Qing; Li, Zheng-Ming Journal of Fluorine Chemistry, 2006 , vol. 127, # 6 p. 796 - 799

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+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.992
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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