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Methyl 3-(4-hydroxyphenyl)propionate Esmolol Impurity

  • CAS No. 5597-50-2

  • Cat. No. CS-0228781
  • Purity≥97%
  • MDL No.MFCD00071577

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

Methyl 3-(4-hydroxyphenyl)propionate Esmolol  Impurity|CS-0228781

Structure of 5597-50-2

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General Information

  • CAS No. 5597-50-2
  • Cat. No. CS-0228781
  • Purity ≥97%
  • MDL No. MFCD00071577
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) methyl 3-(4-hydroxyphenyl)propanoate
  • SMILES O=C(OC)CCC1=CC=C(O)C=C1

Synthesis

  • Route1
    • Desaminotyrosine Esmolol  Impurity|CS-0228780
      501-97-3
    • null|null
      74-88-4
    • ~93%
    • Methyl 3-(4-hydroxyphenyl)propionate Esmolol  Impurity|CS-0228781
      5597-50-2

    References

    • Guo, Wei; Li, Junfei; Fan, Ningjuan; Wu, Weiwei; Zhou, Peiwen; Xia, Chizhong Synthetic Communications, 2005 , vol. 35, # 1 p. 145 - 152
  • Route2

    References

    • Prous Institute for Biomedical Research, S.A.; Prous, Josep R.; Serradell, Neus; Flores, Ramón; García-Delgado, Noemí Patent: EP2745876 A1, 2014 ; Location in patent: Page/Page column ;
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 128, # 10 p. 3324 - 3334

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.4978
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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