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CS-W001157 4
Total: USD 88.00

3-​Methyl-​4-​(4-​methylpiperazin-​1-​yl)​aniline

  • CAS No. 681004-50-2

  • Cat. No. CS-0101133
  • Molecule weightNone
  • Purity≥96%
  • MDL No.MFCD08444067

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

3-​Methyl-​4-​(4-​methylpiperazin-​1-​yl)​aniline|CS-0101133

Structure of 681004-50-2

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General Information

  • CAS No. 681004-50-2
  • Cat. No. CS-0101133
  • Purity ≥96%
  • MDL No. MFCD08444067
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉N₃
  • Molecular Weight None
  • Synonym(s) 3-Methyl-4-(4-methylpiperazin-1-yl)aniline
  • SMILES CC1=C(C=CC(N)=C1)N2CCN(C)CC2

Description

3-Methyl-4-(4-methylpiperazin-1-yl)aniline features a conjugated aniline core paired with a sterically accessible piperazine handle, enabling efficient integration into diverse synthetic scaffolds. The electron-rich aromatic system enhances reactivity in coupling processes, while the pendant piperazine moiety offers tunable solubility and coordination capacity. This structure supports modular derivatization under standard conditions.

Application

3-Methyl-4-(4-methylpiperazin-1-yl)aniline serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. Its amine functionality facilitates straightforward derivatization via acylation, alkylation, or reductive amination, while the piperazine ring enhances solubility and modulates pharmacokinetic properties. The molecule exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis campaigns in API development.

Synthesis

  • Route1

    References

    • AURIGENE DISCOVERY TECHNOLOGIES LIMITED; SENGUPTA, Saumitra; RAJAGOPALAN, Srinivasan; BELAVAGI, Ningaraddi; RAMACHANDRA, Muralidhara Patent: WO2012/59932 A1, 2012 ; Location in patent: Page/Page column 111 ; WO 2012/059932 A1
  • Route2

    References

    • AURIGENE DISCOVERY TECHNOLOGIES LIMITED; SENGUPTA, Saumitra; RAJAGOPALAN, Srinivasan; BELAVAGI, Ningaraddi; RAMACHANDRA, Muralidhara Patent: WO2012/59932 A1, 2012 ; WO 2012/059932 A1

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   32.5
  • LogP   1.32902
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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