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CS-W001157 4
Total: USD 88.00

1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate

  • CAS No. 188847-00-9

  • Cat. No. CS-0052617
  • Purity≥97%
  • MDL No.MFCD06410557

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

1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate|CS-0052617

Structure of 188847-00-9

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General Information

  • CAS No. 188847-00-9
  • Cat. No. CS-0052617
  • Purity ≥97%
  • MDL No. MFCD06410557
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₇NO₄
  • Molecular Weight 263.29
  • Synonym(s) O1-benzyl O3-methyl pyrrolidine-1,3-dicarboxylate
  • SMILES COC(=O)C1CCN(C1)C(=O)OCC1=CC=CC=C1

Synthesis

  • Route1
    • In-stock
      1-(Benzyloxycarbonyl)pyrrolidine-3-carboxylic acid|CS-W002897
      188527-21-1
    • null|null
      74-88-4
    • ~99%
    • In-stock
      1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate|CS-0052617
      188847-00-9

    References

    • ABBOTT LABORATORIES Patent: WO2007/95628 A1, 2007 ; Location in patent: Page/Page column 41-42 ;
  • Route2
    • Benzyl 3-cyanopyrrolidine-1-carboxylate|CS-0035664
      188846-99-3
    • ~70%
    • In-stock
      1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate|CS-0052617
      188847-00-9

    References

    • THE TRUSTEES OF PRINCETON UNIVERSITY; ELI LILLY AND COMPANY Patent: EP761668 A2, 1997 ;
  • Route3
    • Methyl pyrrolidine-3-carboxylate|CS-0005390
      98548-90-4
    • null|null
      501-53-1
    • ~%
    • In-stock
      1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate|CS-0052617
      188847-00-9

    References

    • Murphy, John A.; Tripoli, Regis; Khan, Tanweer A.; Mali, Umesh W. Organic Letters, 2005 , vol. 7, # 15 p. 3287 - 3289

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   55.84
  • LogP   1.8181
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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