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CS-W001157 4
Total: USD 88.00

3-(4-Methylpiperazin-1-yl)aniline

  • CAS No. 148546-99-0

  • Cat. No. CS-W003509
  • Purity≥98%
  • MDL No.MFCD08435857

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

3-(4-Methylpiperazin-1-yl)aniline|CS-W003509

Structure of 148546-99-0

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General Information

  • CAS No. 148546-99-0
  • Cat. No. CS-W003509
  • Purity ≥98%
  • MDL No. MFCD08435857
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇N₃
  • Molecular Weight 191.27
  • Synonym(s) Benzenamine, 3-(4-methyl-1-piperazinyl)- (9CI)
  • SMILES CN1CCN(C2=CC=CC(N)=C2)CC1

Description

3-(4-Methylpiperazin-1-yl)aniline features a piperazine ring appended to an aniline scaffold, delivering enhanced solubility and tunable basicity. This electron-rich amine integrates readily into pharmaceutical intermediates and bioactive scaffolds, offering favorable reactivity under standard coupling conditions.

Application

3-(4-Methylpiperazin-1-yl)aniline serves as a versatile building block in medicinal chemistry, enabling the construction of diverse heterocyclic scaffolds through standard coupling and cyclization protocols. The piperazine moiety provides enhanced solubility and hydrogen-bonding capacity, while the aniline handle facilitates direct functionalization or incorporation into biologically active molecules. Bench-stable and compatible with common purification methods, it functions effectively in amide bond formation, Suzuki coupling, and electrophilic substitution reactions.

Synthesis

  • Route1

    References

    • Park, Chul Min; Kim, So Young; Park, Woo Kyu; Choi, Jung Hwan; Seong, Churl Min Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 17 p. 5221 - 5224
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 48, # 26 p. 8261 - 8269
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 48, # 26 p. 8261 - 8269

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   32.5
  • LogP   1.0206
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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