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CS-W001157 4
Total: USD 88.00

4-[(Diethoxyphosphoryl)methyl]benzoic acid

  • CAS No. 28149-48-6

  • Cat. No. CS-0072960
  • Purity≥97%
  • MDL No.MFCD00440869

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

4-[(Diethoxyphosphoryl)methyl]benzoic acid|CS-0072960

Structure of 28149-48-6

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General Information

  • CAS No. 28149-48-6
  • Cat. No. CS-0072960
  • Purity ≥97%
  • MDL No. MFCD00440869
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇O₅P
  • Molecular Weight 272.23
  • Synonym(s) 4-(Diethoxyphosphinylmethyl)benzoic Acid
  • SMILES O=P(OCC)(OCC)CC1=CC=C(C=C1)C(O)=O

Synthesis

  • Route1
    • In-stock
      4-(Bromomethyl)benzoic acid|CS-B1333
      6232-88-8
    • null|null
      122-52-1
    • ~96%
    • In-stock
      4-[(Diethoxyphosphoryl)methyl]benzoic acid|CS-0072960
      28149-48-6

    References

    • AXYS PHARMACEUTICALS, INC. Patent: WO2005/118584 A2, 2005 ; Location in patent: Page/Page column 68-69 ;
  • Route2
    • p-(Methoxycarbonyl)benzyl bromide|CS-W008845
      2417-72-3
    • null|null
      122-52-1
    • ~84%
    • In-stock
      4-[(Diethoxyphosphoryl)methyl]benzoic acid|CS-0072960
      28149-48-6

    References

    • Bardecker, Julie A.; Afzali, Ali; Tulevski, George S.; Graham, Teresita; Hannon, James B.; Jen, Alex K.-Y. Journal of the American Chemical Society, 2008 , vol. 130, # 23 p. 7226 - 7227
  • Route3

    References

    • G. D. Searle and Co. Patent: US4918064 A1, 1990 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H317-H319-H335-H360
Precautionary Statements : P261-P264-P271-P272-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   72.83
  • LogP   3.1509
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   7

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