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Methyl (2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoate

  • CAS No. 177036-78-1

  • Cat. No. CS-0061795
  • Molecule weight286.32
  • Purity≥97%
  • MDL No.None

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

Methyl (2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoate|CS-0061795

Structure of 177036-78-1

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General Information

  • CAS No. 177036-78-1
  • Cat. No. CS-0061795
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₈O₄
  • Molecular Weight 286.32
  • Synonym(s) (S)-2-Hydroxy-3-methoxy-3,3-diphenylpropionic acid methyl ester
  • SMILES COC(=O)[C@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)OC)O

Synthesis

  • Route1

    References

    • CIPLA LIMITED; KING, Lawrence; RAO, Dharmaraj Ramachandra; KANKAN, Rajendra Narayanrao; NAIK, Sanjay; GHAGARE, Maruti; CHIKHALIKAR, Sandip Vasant Patent: WO2013/57468 A1, 2013 ; Location in patent: Page/Page column 25 ;
  • Route2
    • null|null
      1431363-04-0
    • ~95%
    • Methyl (2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoate|CS-0061795
      177036-78-1

    References

    • CIPLA LIMITED; KING, Lawrence; RAO, Dharmaraj Ramachandra; KANKAN, Rajendra Narayanrao; NAIK, Sanjay; GHAGARE, Maruti; CHIKHALIKAR, Sandip Vasant Patent: WO2013/57468 A1, 2013 ; Location in patent: Page/Page column 20-21 ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 42, # 16 p. 3026 - 3032

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   55.76
  • LogP   2.1105
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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