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Ethyl 2-(4-fluorophenyl)-2-hydroxyacetate

  • CAS No. 7550-03-0

  • Cat. No. CS-0524185
  • Molecule weight198.19
  • Purity≥98%
  • MDL No.MFCD16661866

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

Ethyl 2-(4-fluorophenyl)-2-hydroxyacetate|CS-0524185

Structure of 7550-03-0

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General Information

  • CAS No. 7550-03-0
  • Cat. No. CS-0524185
  • Purity ≥98%
  • MDL No. MFCD16661866
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁FO₃
  • Molecular Weight 198.19
  • Synonym(s) ethyl p-fluoro mandelate
  • SMILES O=C(OCC)C(C1=CC=C(F)C=C1)O

Synthesis

  • Route1

    References

    • Marques, Carolina S.; Burke, Anthony J. Tetrahedron, 2012 , vol. 68, # 35 p. 7211 - 7216
  • Route2

    References

    • Poon, Jia-Fei; Alao, John Patrick; Sunnerhagen, Per; Diner, Peter Organic and Biomolecular Chemistry, 2013 , vol. 11, # 27 p. 4526 - 4536
  • Route3

    References

    • BRISTOL-MYERS SQUIBB COMPANY; BOY, Kenneth M.; GUERNON, Jason M.; MACOR, John E.; OLSON, Richard E.; SHI, Jianliang; THOMPSON, III, Lorin A.; WU, Yong-Jin; XU, Li; ZHANG, Yunhui; ZUEV, Dmitry S. Patent: WO2011/14535 A1, 2011 ; Location in patent: Page/Page column 112 ; WO 2011/014535 A1

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   46.53
  • LogP   1.4222
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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