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CS-W001157 4
Total: USD 88.00

2-(4-Boc-piperazinyl)-α-(2-fluoro-phenyl)acetic acid

  • CAS No. 444892-80-2

  • Cat. No. CS-0179087
  • Purity≥98%
  • MDL No.None

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

2-(4-Boc-piperazinyl)-α-(2-fluoro-phenyl)acetic acid|CS-0179087

Structure of 444892-80-2

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General Information

  • CAS No. 444892-80-2
  • Cat. No. CS-0179087
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₃FN₂O₄
  • Molecular Weight 338.37
  • Synonym(s) 2-(4-Boc-piperazinyl)-2-(2-fluorophenyl)acetic acid
  • SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=CC=C2F)C(=O)O

Synthesis

  • Route1
    • tert-Butyl 4-(2-ethoxy-1-(2-fluorophenyl)-2-oxoethyl)piperazine-1-carboxylate|CS-1711034
      870701-30-7
    • ~%
    • 2-(4-Boc-piperazinyl)-α-(2-fluoro-phenyl)acetic acid|CS-0179087
      444892-80-2

    References

    • Fisher, Matthew J.; Backer, Ryan T.; Collado, Ivan; De Frutos, Oscar; Husain, Saba; Hsiung, Hansen M.; Kuklish, Steve L.; Mateo, Ana I.; Mullaney, Jeffrey T.; Ornstein, Paul L.; Paredes, Cristina Garcia; O'Brian, Thomas P.; Richardson, Timothy I.; Shah, Jikesh; Zgombick, John M.; Briner, Karin Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 22 p. 4973 - 4978
  • Route2

    References

    • Fisher, Matthew J.; Backer, Ryan T.; Collado, Ivan; De Frutos, Oscar; Husain, Saba; Hsiung, Hansen M.; Kuklish, Steve L.; Mateo, Ana I.; Mullaney, Jeffrey T.; Ornstein, Paul L.; Paredes, Cristina Garcia; O'Brian, Thomas P.; Richardson, Timothy I.; Shah, Jikesh; Zgombick, John M.; Briner, Karin Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 22 p. 4973 - 4978
  • Route3
    • Ethyl 2-bromo-2-(2-fluorophenyl)acetate|CS-0683502
      100638-28-6
    • ~%
    • 2-(4-Boc-piperazinyl)-α-(2-fluoro-phenyl)acetic acid|CS-0179087
      444892-80-2

    References

    • Fisher, Matthew J.; Backer, Ryan T.; Collado, Ivan; De Frutos, Oscar; Husain, Saba; Hsiung, Hansen M.; Kuklish, Steve L.; Mateo, Ana I.; Mullaney, Jeffrey T.; Ornstein, Paul L.; Paredes, Cristina Garcia; O'Brian, Thomas P.; Richardson, Timothy I.; Shah, Jikesh; Zgombick, John M.; Briner, Karin Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 22 p. 4973 - 4978

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   70.08
  • LogP   2.5041
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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