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CS-W001157 4
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4-(Pyrrolidin-1-yl)benzoic acid

  • CAS No. 22090-27-3

  • Cat. No. CS-W007278
  • Purity≥97%
  • MDL No.MFCD01631241

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

4-(Pyrrolidin-1-yl)benzoic acid|CS-W007278

Structure of 22090-27-3

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General Information

  • CAS No. 22090-27-3
  • Cat. No. CS-W007278
  • Purity ≥97%
  • MDL No. MFCD01631241
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₂
  • Molecular Weight 191.23
  • Synonym(s) 4-(1-Pyrrolidinyl)Benzoic Acid
  • SMILES OC(=O)C1=CC=C(C=C1)N1CCCC1

Description

4-(Pyrrolidin-1-yl)benzoic acid features a pyrrolidine ring attached to a para-substituted benzoic acid scaffold, delivering enhanced solubility and metabolic stability. This electron-rich aryl moiety integrates readily into bioactive scaffolds, enabling efficient conjugation in medicinal chemistry campaigns. The carboxylic acid group provides a versatile handle for amide bond formation and derivatization under standard coupling conditions.

Application

4-(Pyrrolidin-1-yl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. The pyrrolidinyl group provides enhanced solubility and modulates electronic properties, while the carboxylic acid facilitates direct coupling reactions or derivatization. This compound exhibits good bench stability and functional group tolerance, making it well-suited for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~%
    • In-stock
      4-(Pyrrolidin-1-yl)benzoic acid|CS-W007278
      22090-27-3

    References

    • Journal of Medicinal Chemistry, , vol. 55, # 19 p. 8524 - 8537,14
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 55, # 19 p. 8524 - 8537,14
  • Route3

    References

    • Liu, Xia; Chan, Chi-Bun; Qi, Qi; Ye, Keqiang; Xiao, Ge; Luo, Hongbo R.; He, Xiaolin Journal of Medicinal Chemistry, 2012 , vol. 55, # 19 p. 8524 - 8537,14

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   1.985
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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