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CS-W001157 4
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[5-Bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-yl]amine

  • CAS No. 756503-69-2

  • Cat. No. CS-0008391
  • Purity95+%
  • MDL No.MFCD14706287

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

[5-Bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-yl]amine|CS-0008391

Structure of 756503-69-2

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General Information

  • CAS No. 756503-69-2
  • Cat. No. CS-0008391
  • Purity 95+%
  • MDL No. MFCD14706287
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀BrCl₂FN₂O
  • Molecular Weight 380.04
  • Synonym(s) 5-Bromo-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine
  • SMILES ClC(C(C(C)OC1=C(N)N=CC(Br)=C1)=C(Cl)C=C2)=C2F

Synthesis

  • Route1
    • 3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine|CS-0671428
      756520-67-9
    • ~80%
    • [5-Bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-yl]amine|CS-0008391
      756503-69-2

    References

    • BETA PHARMA CANADA INC.; WANG, Zhaoyin; LI, Lianhai; WANG, Zhigang Patent: WO2013/13308 A1, 2013 ; Location in patent: Paragraph 00166-00168 ; WO 2013/013308 A1
  • Route2
    • 1-(2,6-Dichloro-3-fluorophenyl)ethanol|CS-0005816
      756520-66-8
    • ~%
    • [5-Bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-yl]amine|CS-0008391
      756503-69-2

    References

    • Cui, J. Jean; Tran-Dube, Michelle; Shen, Hong; Nambu, Mitchell; Kung, Pei-Pei; Pairish, Mason; Jia, Lei; Meng, Jerry; Funk, Lee; Botrous, Iriny; McTigue, Michele; Grodsky, Neil; Ryan, Kevin; Padrique, Ellen; Alton, Gordon; Timofeevski, Sergei; Yamazaki, Shinji; Li, Qiuhua; Zou, Helen; Christensen, James; Mroczkowski, Barbara; Bender, Steve; Kania, Robert S.; Edwards, Martin P. Journal of Medicinal Chemistry, 2011 , vol. 54, # 18 p. 6342 - 6363
  • Route3
    • 3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-2-nitropyridine|CS-0671429
      756521-08-1
    • ~%
    • [5-Bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-yl]amine|CS-0008391
      756503-69-2

    References

    • Cui, J. Jean; Tran-Dube, Michelle; Shen, Hong; Nambu, Mitchell; Kung, Pei-Pei; Pairish, Mason; Jia, Lei; Meng, Jerry; Funk, Lee; Botrous, Iriny; McTigue, Michele; Grodsky, Neil; Ryan, Kevin; Padrique, Ellen; Alton, Gordon; Timofeevski, Sergei; Yamazaki, Shinji; Li, Qiuhua; Zou, Helen; Christensen, James; Mroczkowski, Barbara; Bender, Steve; Kania, Robert S.; Edwards, Martin P. Journal of Medicinal Chemistry, 2011 , vol. 54, # 18 p. 6342 - 6363

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   48.14
  • LogP   5.0122
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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