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CS-W001157 4
Total: USD 88.00

4-((4-Methylpiperazin-1-yl)methyl)benzoic acid

  • CAS No. 106261-48-7

  • Cat. No. CS-D0423
  • Purity≥95%
  • MDL No.MFCD01632530

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

4-((4-Methylpiperazin-1-yl)methyl)benzoic acid|CS-D0423

Structure of 106261-48-7

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General Information

  • CAS No. 106261-48-7
  • Cat. No. CS-D0423
  • Purity ≥95%
  • MDL No. MFCD01632530
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈N₂O₂
  • Molecular Weight 234.30
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(CN2CCN(C)CC2)C=C1

Description

This piperazine-based benzoic acid derivative features a methylpiperazinylmethyl side chain that enhances solubility and bioavailability. It serves as a key intermediate in the synthesis of pharmaceuticals targeting CNS disorders and kinase inhibitors, offering favorable handling properties under standard bench conditions.

Application

4-((4-Methylpiperazin-1-yl)methyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard amide coupling and derivatization protocols. The pendant piperazine moiety offers enhanced solubility and hydrogen-bonding capacity, while the benzoic acid group facilitates conjugation via esterification or amidation. Bench-stable and compatible with common protecting group strategies, it functions effectively in multi-step synthesis for targeted drug discovery applications.

Synthesis

  • Route1

    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
  • Route2

    References

    • MacDonald, Peter; Rossetto, Pierluigi Patent: US2008/103305 A1, 2008 ; Location in patent: Page/Page column 7 ;
  • Route3
    • Methyl 4-((4-methylpiperazin-1-yl)methyl)benzoate hydrochloride|CS-1158330
      728936-43-4
    • ~99%
    • In-stock
      4-((4-Methylpiperazin-1-yl)methyl)benzoic acid|CS-D0423
      106261-48-7

    References

    • ORION CORPORATION Patent: WO2004/63191 A1, 2004 ; Location in patent: Page 74 ;

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

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Computational Chemistry Data

  • TPSA   43.78
  • LogP   1.1322
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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