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CS-W001157 4
Total: USD 88.00

Methyl 2-(4-cyano-3-fluorophenyl)acetate

  • CAS No. 444807-50-5

  • Cat. No. CS-0197235
  • Molecule weight193.17
  • Purity95+%
  • MDL No.None

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

Methyl 2-(4-cyano-3-fluorophenyl)acetate|CS-0197235

Structure of 444807-50-5

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General Information

  • CAS No. 444807-50-5
  • Cat. No. CS-0197235
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈FNO₂
  • Molecular Weight 193.17
  • Synonym(s) Benzeneacetic acid, 4-cyano-3-fluoro-, methyl ester
  • SMILES COC(=O)CC1=CC(=C(C=C1)C#N)F

Synthesis

  • Route1

    References

    • ASTRAZENECA AB Patent: WO2007/69986 A1, 2007 ; Location in patent: Page/Page column 93 ; WO 2007/069986 A1
  • Route2

    References

    • Tang, Haifeng; Walsh, Shawn P.; Yan, Yan; De Jesus, Reynalda K.; Shahripour, Aurash; Teumelsan, Nardos; Zhu, Yuping; Ha, Sookhee; Owens, Karen A.; Thomas-Fowlkes, Brande S.; Felix, John P.; Liu, Jessica; Kohler, Martin; Priest, Birgit T.; Bailey, Timothy; Brochu, Richard; Alonso-Galicia, Magdalena; Kaczorowski, Gregory J.; Roy, Sophie; Yang, Lihu; Mills, Sander G.; Garcia, Maria L.; Pasternak, Alexander ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 5 p. 367 - 372
  • Route3
    • Methyl 2-(3-fluoro-4-hydroxyphenyl)acetate|CS-0233022
      79280-92-5
    • ~%
    • Methyl 2-(4-cyano-3-fluorophenyl)acetate|CS-0197235
      444807-50-5

    References

    • Tang, Haifeng; Walsh, Shawn P.; Yan, Yan; De Jesus, Reynalda K.; Shahripour, Aurash; Teumelsan, Nardos; Zhu, Yuping; Ha, Sookhee; Owens, Karen A.; Thomas-Fowlkes, Brande S.; Felix, John P.; Liu, Jessica; Kohler, Martin; Priest, Birgit T.; Bailey, Timothy; Brochu, Richard; Alonso-Galicia, Magdalena; Kaczorowski, Gregory J.; Roy, Sophie; Yang, Lihu; Mills, Sander G.; Garcia, Maria L.; Pasternak, Alexander ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 5 p. 367 - 372

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

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.41288
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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