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CS-W001157 4
Total: USD 88.00

Benzyl 3-oxopyrrolidine-1-carboxylate

  • CAS No. 130312-02-6

  • Cat. No. CS-W002982
  • Purity≥98%
  • MDL No.MFCD03001711

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

Benzyl 3-oxopyrrolidine-1-carboxylate|CS-W002982

Structure of 130312-02-6

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General Information

  • CAS No. 130312-02-6
  • Cat. No. CS-W002982
  • Purity ≥98%
  • MDL No. MFCD03001711
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₃
  • Molecular Weight 219.24
  • Synonym(s) N-CBZ-3-PYRROLIDINONE
  • SMILES O=C(N1CC(CC1)=O)OCC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Actelion Pharmaceuticals Ltd. Patent: US2009/247578 A1, 2009 ; Location in patent: Page/Page column 14 ;
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 14, # 5 p. 1265 - 1268
  • Route3

    References

    • PFIZER INC.; SPRINGER, John Robert; DEVADAS, Balekudru; GARLAND, Danny James; GRAPPERHAUS, Margaret Lanahan; HAN, Seungil; HOCKERMAN, Susan Landis; HUGHES, Robert Owen; SAIAH, Eddine; SCHNUTE, Mark Edward; SELNESS, Shaun Raj; WALKER, Daniel Patrick; WAN, Zhao-Kui; XING, Li; ZAPF, Christoph Wolfgang; SCHMIDT, Michelle, Ann Patent: WO2014/68527 A1, 2014 ; Location in patent: Page/Page column 82 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H351
Precautionary Statements : P280-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.598
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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