Cas no 198281-54-8 (1-Methyl-4-(3-nitrobenzyl)piperazine)

1-Methyl-4-(3-nitrobenzyl)piperazine is a nitro-substituted piperazine derivative with potential applications in pharmaceutical and chemical research. Its structure features a methyl group at the 1-position and a 3-nitrobenzyl moiety at the 4-position of the piperazine ring, offering versatility as an intermediate in organic synthesis. The nitro group enhances reactivity, making it useful for further functionalization, such as reduction to amines or participation in nucleophilic aromatic substitution. This compound may serve as a precursor in the development of bioactive molecules, including CNS-targeting agents, due to the piperazine scaffold's prevalence in medicinal chemistry. High purity and well-defined synthetic pathways ensure reproducibility for research applications.
1-Methyl-4-(3-nitrobenzyl)piperazine structure
198281-54-8 structure
Product Name:1-Methyl-4-(3-nitrobenzyl)piperazine
CAS No:198281-54-8
MF:C12H17N3O2
MW:235.282282590866
MDL:MFCD01466619
CID:133642
PubChem ID:1377109
Update Time:2025-05-23

1-Methyl-4-(3-nitrobenzyl)piperazine Chemical and Physical Properties

Names and Identifiers

    • Piperazine, 1-methyl-4-[(3-nitrophenyl)methyl]-
    • 1-methyl-4-(3-nitrobenzyl)piperazine
    • 1-methyl-4-[(3-nitrophenyl)methyl]piperazine
    • 3-(4-methylpiperazin-1-ylmethyl)nitrobenzene
    • 1-(3-NITROBENZYL)-4-METHYLPIPERAZINE
    • 198281-54-8
    • SY129577
    • A813970
    • EN300-1196675
    • DTXSID70362420
    • 1-methyl-4-(3-nitro-benzyl)-piperazine
    • Piperazine,1-methyl-4-[(3-nitrophenyl)methyl]-
    • AKOS015908699
    • AB9835
    • AB00077928-01
    • FT-0643846
    • AS-9134
    • MFCD01466619
    • SR-01000202196
    • QXWROCIDLCOGKL-UHFFFAOYSA-N
    • Cambridge id 5265849
    • SR-01000202196-1
    • CS-0173625
    • Oprea1_573305
    • SCHEMBL2716970
    • starbld0016649
    • 1-Methyl-4-(3-nitrobenzyl)piperazine 97%
    • DB-044996
    • 1-Methyl-4-(3-nitrobenzyl)piperazine
    • MDL： MFCD01466619
    • Inchi： 1S/C12H17N3O2/c1-13-5-7-14(8-6-13)10-11-3-2-4-12(9-11)15(16)17/h2-4,9H,5-8,10H2,1H3
    • InChI Key： QXWROCIDLCOGKL-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1=CC=CC(=C1)CN1CCN(C)CC1)=O

Computed Properties

  • Exact Mass: 235.13200
  • Monoisotopic Mass: 235.132076794g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 259
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Melting Point: 49 °C
  • PSA: 52.30000
  • LogP: 1.74120

1-Methyl-4-(3-nitrobenzyl)piperazine Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-Methyl-4-(3-nitrobenzyl)piperazine Production Method

1-Methyl-4-(3-nitrobenzyl)piperazine Related Literature

Additional information on 1-Methyl-4-(3-nitrobenzyl)piperazine

Comprehensive Overview of 1-Methyl-4-(3-nitrobenzyl)piperazine (CAS No. 198281-54-8): Properties, Applications, and Research Insights

1-Methyl-4-(3-nitrobenzyl)piperazine (CAS No. 198281-54-8) is a specialized organic compound belonging to the piperazine derivatives family. This compound has garnered significant attention in pharmaceutical and chemical research due to its unique structural features, which include a methyl group and a 3-nitrobenzyl moiety attached to the piperazine core. Researchers and industry professionals frequently search for terms like "synthesis of 1-Methyl-4-(3-nitrobenzyl)piperazine", "CAS 198281-54-8 applications", and "nitrobenzyl-piperazine derivatives", reflecting its relevance in modern chemistry.

The compound's molecular formula, C12H17N3O2, highlights its potential as a building block for more complex molecules. Its nitro group offers reactivity that is exploitable in various organic synthesis pathways, making it valuable for designing novel compounds. Recent trends in drug discovery and medicinal chemistry have increased interest in piperazine-based scaffolds, with queries such as "piperazine derivatives in drug development" and "nitrobenzyl-piperazine pharmacological properties" rising in search engine analytics.

From a physicochemical perspective, 1-Methyl-4-(3-nitrobenzyl)piperazine exhibits moderate solubility in polar solvents, a characteristic that facilitates its use in laboratory-scale reactions. Analytical techniques like HPLC, NMR spectroscopy, and mass spectrometry are commonly employed to verify its purity and structure. Users often search for "CAS 198281-54-8 solubility data" or "spectroscopic analysis of nitrobenzyl-piperazines", underscoring the demand for detailed technical data.

In the context of green chemistry, researchers are exploring sustainable methods to synthesize 1-Methyl-4-(3-nitrobenzyl)piperazine, aligning with global efforts to reduce environmental impact. Keywords like "eco-friendly synthesis of piperazine derivatives" and "catalytic approaches for nitrobenzyl compounds" reflect this shift. Additionally, the compound's potential role in material science, particularly in designing functional polymers, has sparked queries such as "piperazine monomers for polymer applications".

Safety and handling of 1-Methyl-4-(3-nitrobenzyl)piperazine are also critical topics. While not classified as hazardous under standard conditions, proper laboratory practices are essential. Searches for "CAS 198281-54-8 safety guidelines" and "storage conditions for nitrobenzyl-piperazines" indicate user awareness of best practices. Regulatory compliance, especially in pharmaceutical manufacturing, further drives interest in its quality control protocols.

Looking ahead, 1-Methyl-4-(3-nitrobenzyl)piperazine continues to be a focal point in interdisciplinary research. Its versatility in chemical synthesis, combined with emerging applications in biotechnology and nanomaterials, ensures its place in future innovations. As search trends evolve, terms like "next-gen piperazine analogs" and "nitrobenzyl-piperazine in nanotechnology" are likely to gain traction, reflecting the compound's expanding utility.

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