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Methyl (S)-3-hydroxy-3-phenylpropanoate

  • CAS No. 36615-45-9

  • Cat. No. CS-0301839
  • Purity≥98%
  • MDL No.None

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

Methyl (S)-3-hydroxy-3-phenylpropanoate|CS-0301839

Structure of 36615-45-9

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General Information

  • CAS No. 36615-45-9
  • Cat. No. CS-0301839
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) methyl (3S)-3-hydroxy-3-phenylpropanoate
  • SMILES COC(=O)C[C@@H](C1=CC=CC=C1)O

Synthesis

  • Route1
    • null|null
      100-52-7
    • null|null
      96-32-2
    • ~94%
    • Methyl (S)-3-hydroxy-3-phenylpropanoate|CS-0301839
      36615-45-9

    References

    • Consortium fuer elektrochemische Industrie GmbH Patent: US6924386 B2, 2005 ; Location in patent: Page/Page column 14-16 ;
  • Route2

    References

    • Takasago International Corporation Patent: EP1176135 A1, 2002 ; Location in patent: Example 1 ;
  • Route3
    • null|null
      1006696-27-0
    • ~%
    • Methyl (S)-3-hydroxy-3-phenylpropanoate|CS-0301839
      36615-45-9

    References

    • Tetrahedron, , vol. 69, # 17 p. 3551 - 3560

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.2831
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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