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CS-W001157 4
Total: USD 88.00

Ethyl 4-chloro-7-(trifluoromethoxy)quinoline-3-carboxylate

  • CAS No. 890841-23-3

  • Cat. No. CS-0505700
  • Molecule weight319.66
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-chloro-7-(trifluoromethoxy)quinoline-3-carboxylate|CS-0505700

Structure of 890841-23-3

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General Information

  • CAS No. 890841-23-3
  • Cat. No. CS-0505700
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉ClF₃NO₃
  • Molecular Weight 319.66
  • Synonym(s) 4-Chloro-7-(trifluoromethoxy)quinoline-3-carboxylic acid ethyl ester
  • SMILES O=C(C1=C(Cl)C2=CC=C(OC(F)(F)F)C=C2N=C1)OCC

Synthesis

  • Route1
    • null|null
      1373767-54-4
    • ~%
    • Ethyl 4-chloro-7-(trifluoromethoxy)quinoline-3-carboxylate|CS-0505700
      890841-23-3

    References

    • Zhang, Yiqun; Clark, Julie A.; Connelly, Michele C.; Zhu, Fangyi; Min, Jaeki; Guiguemde, W. Armand; Pradhan, Anupam; Iyer, Lalitha; Furimsky, Anna; Gow, Jason; Parman, Toufan; El Mazouni, Farah; Phillips, Margaret A.; Kyle, Dennis E.; Mirsalis, Jon; Guy, R. Kiplin Journal of Medicinal Chemistry, 2012 , vol. 55, # 9 p. 4205 - 4219
  • Route2

    References

    • Zhang, Yiqun; Clark, Julie A.; Connelly, Michele C.; Zhu, Fangyi; Min, Jaeki; Guiguemde, W. Armand; Pradhan, Anupam; Iyer, Lalitha; Furimsky, Anna; Gow, Jason; Parman, Toufan; El Mazouni, Farah; Phillips, Margaret A.; Kyle, Dennis E.; Mirsalis, Jon; Guy, R. Kiplin Journal of Medicinal Chemistry, 2012 , vol. 55, # 9 p. 4205 - 4219
  • Route3

    References

    • Zhang, Yiqun; Clark, Julie A.; Connelly, Michele C.; Zhu, Fangyi; Min, Jaeki; Guiguemde, W. Armand; Pradhan, Anupam; Iyer, Lalitha; Furimsky, Anna; Gow, Jason; Parman, Toufan; El Mazouni, Farah; Phillips, Margaret A.; Kyle, Dennis E.; Mirsalis, Jon; Guy, R. Kiplin Journal of Medicinal Chemistry, 2012 , vol. 55, # 9 p. 4205 - 4219

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   48.42
  • LogP   3.9635
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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