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CS-W001157 4
Total: USD 88.00

Methyl 4-(pyrrolidin-1-ylmethyl)benzoate

  • CAS No. 160598-45-8

  • Cat. No. CS-0447521
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(pyrrolidin-1-ylmethyl)benzoate|CS-0447521

Structure of 160598-45-8

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General Information

  • CAS No. 160598-45-8
  • Cat. No. CS-0447521
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO₂
  • Molecular Weight 219.28
  • Synonym(s) 1-(4-methoxycarbonylbenzyl)pyrrolidine
  • SMILES COC(=O)C1=CC=C(C=C1)CN2CCCC2

Synthesis

  • Route1
    • null|null
      123-75-1
    • p-(Methoxycarbonyl)benzyl bromide|CS-W008845
      2417-72-3
    • ~85%
    • Methyl 4-(pyrrolidin-1-ylmethyl)benzoate|CS-0447521
      160598-45-8

    References

    • SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A.; GEMMA, Sandra Patent: WO2007/104695 A1, 2007 ; Location in patent: Page/Page column 27-28 ;
  • Route2

    References

    • Koroleva, Elena V.; Kadutskii, Aleksey P.; Farina, Alexander V.; Ignatovich, Janna V.; Ermolinskaya, Anastasiya L.; Gusak, Klaudiya N.; Kalinichenko, Elena N. Tetrahedron Letters, 2012 , vol. 53, # 38 p. 5056 - 5058
  • Route3

    References

    • Australian Journal of Chemistry, , vol. 57, # 6 p. 531 - 536

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   2.069
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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