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CS-W001157 4
Total: USD 88.00

1-(3-Methoxy-4-nitrophenyl)-4-methylpiperazine

  • CAS No. 761440-26-0

  • Cat. No. CS-M1160
  • Molecule weight251.28
  • Purity≥98%
  • MDL No.MFCD16249532

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

1-(3-Methoxy-4-nitrophenyl)-4-methylpiperazine|CS-M1160

Structure of 761440-26-0

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General Information

  • CAS No. 761440-26-0
  • Cat. No. CS-M1160
  • Purity ≥98%
  • MDL No. MFCD16249532
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇N₃O₃
  • Molecular Weight 251.28
  • Synonym(s) 2-methoxy-4-(4-methylpiperazin-1-yl)phenylazinic acid
  • SMILES CN(CC1)CCN1C2=CC(OC)=C([N+]([O-])=O)C=C2

Description

1-(3-Methoxy-4-nitrophenyl)-4-methylpiperazine features a nitro-substituted aromatic ring paired with a sterically hindered piperazine core, enabling robust coupling in late-stage functionalization. The methoxy group enhances solubility and modulates electron density, while the methylated piperazine offers improved metabolic stability and nucleophilicity under standard conditions.

Application

1-(3-Methoxy-4-nitrophenyl)-4-methylpiperazine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and reduction protocols. The nitro group facilitates selective reduction to an amine, while the methoxy substituent enhances solubility and modulates electronic properties. Bench-stable and compatible with common purification methods, it functions effectively in multi-step synthesis workflows for targeted compound libraries.

Safety Information

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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   58.85
  • LogP   1.3552
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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