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CS-W001157 4
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Methyl (R)-5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate

  • CAS No. 99735-45-2

  • Cat. No. CS-0462913
  • Purity≥98%
  • MDL No.None

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

Methyl (R)-5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate|CS-0462913

Structure of 99735-45-2

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General Information

  • CAS No. 99735-45-2
  • Cat. No. CS-0462913
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇NO₃
  • Molecular Weight 247.29
  • Synonym(s) methyl (3S)-5-oxo-1-[(R)-1-phenylethyl]pyrrolidin-3-yl-carboxylate
  • SMILES C[C@H](C1=CC=CC=C1)N2C[C@@H](CC2=O)C(=O)OC

Synthesis

  • Route1
    • null|null
      3886-69-9
    • In-stock
      Dimethyl itaconate|CS-W022632
      617-52-7
    • ~46%
    • Methyl (R)-5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate|CS-0462913
      99735-45-2
    • Methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate|CS-0049277
      99735-46-3

    References

    • MITSUBISHI TANABE PHARMA CORPORATION; SANOFI-AVENTIS; NAKAYAMA, Kazuki; SAKAI, Daiki; WATANABE, Kazutoshi; KOHARA, Toshiyuki; ARITOMO, Keiichi Patent: WO2011/19090 A1, 2011 ; Location in patent: Page/Page column 44-45 ; WO 2011/019090 A1
  • Route2

    References

    • Culbertson, Townley P.; Domagala, John M.; Nichols, Jeffery B.; Priebe, Stephen; Skeean, Richard W. Journal of Medicinal Chemistry, 1987 , vol. 30, # 10 p. 1711 - 1715
  • Route3
    • null|null
      67-56-1
    • 5-Oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylic acid|CS-0461706
      915302-94-2
    • ~39%
    • Methyl (R)-5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate|CS-0462913
      99735-45-2
    • Methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate|CS-0049277
      99735-46-3

    References

    • Culbertson, Townley P.; Domagala, John M.; Nichols, Jeffery B.; Priebe, Stephen; Skeean, Richard W. Journal of Medicinal Chemistry, 1987 , vol. 30, # 10 p. 1711 - 1715

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

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.7691
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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