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1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid

  • CAS No. 96449-92-2

  • Cat. No. CS-0207312
  • Purity95+%
  • MDL No.MFCD00084925

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

1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid|CS-0207312

Structure of 96449-92-2

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General Information

  • CAS No. 96449-92-2
  • Cat. No. CS-0207312
  • Purity 95+%
  • MDL No. MFCD00084925
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂ClNO₃
  • Molecular Weight 253.68
  • Synonym(s) 1-(4-CHLOROBENZYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC
  • SMILES C1=C(C=CC(=C1)Cl)CN2CC(CC2=O)C(=O)O

Synthesis

  • Route1

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1180513 A1, 2002 ; Location in patent: Referential example 55 ; EP 1180513 A1

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

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Computational Chemistry Data

  • TPSA   57.61
  • LogP   1.7731
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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