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CS-W001157 4
Total: USD 88.00

Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate

  • CAS No. 79128-68-0

  • Cat. No. CS-0030396
  • Purity≥97%
  • MDL No.None

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

Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate|CS-0030396

Structure of 79128-68-0

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General Information

  • CAS No. 79128-68-0
  • Cat. No. CS-0030396
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₃S
  • Molecular Weight 253.20
  • Synonym(s) methyl 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
  • SMILES O=C(C1=C(NC(C(F)(F)F)=O)C=CS1)OC

Synthesis

  • Route1
    • In-stock
      Methyl 3-amino-2-thiophenecarboxylate|CS-W020059
      22288-78-4
    • null|null
      407-25-0
    • ~97%
    • In-stock
      Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate|CS-0030396
      79128-68-0

    References

    • Zhang, Mingzhu; Tamiya, Junko; Nguyen, Linh; Rowbottom, Martin W.; Dyck, Brian; Vickers, Troy D.; Grey, Jonathan; Schwarz, David A.; Heise, Christopher E.; Haelewyn, Jason; Mistry, Monica S.; Goodfellow, Val S. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 9 p. 2535 - 2539
  • Route2
    • In-stock
      Methyl 3-amino-2-thiophenecarboxylate|CS-W020059
      22288-78-4
    • null|null
      76-05-1
    • ~96%
    • In-stock
      Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate|CS-0030396
      79128-68-0

    References

    • Lazerwith, Scott E.; Lew, Willard; Zhang, Jennifer; Morganelli, Philip; Liu, Qi; Canales, Eda; Clarke, Michael O.; Doerffler, Edward; Byun, Daniel; Mertzman, Michael; Ye, Hong; Chong, Lee; Xu, Lianhong; Appleby, Todd; Chen, Xiaowu; Fenaux, Martijn; Hashash, Ahmad; Leavitt, Stephanie A.; Mabery, Eric; Matles, Mike; Mwangi, Judy W.; Tian, Yang; Lee, Yu-Jen; Zhang, Jingyu; Zhu, Christine; Murray, Bernard P.; Watkins, William J. Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 1893 - 1901

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   55.4
  • LogP   2.0355
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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