Cas no 298703-18-1 (1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride)

1-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-piperazine Hydrochloride is a chemically synthesized compound featuring a piperazine core substituted with a 2-nitro-4-(trifluoromethyl)phenyl group and a methyl moiety. The hydrochloride salt enhances its stability and solubility, making it suitable for research applications. The nitro and trifluoromethyl functional groups contribute to its electron-withdrawing properties, which may influence reactivity in synthetic pathways. This compound is primarily utilized in pharmaceutical and agrochemical research as an intermediate or building block for further derivatization. Its well-defined structure and purity ensure reproducibility in experimental settings, supporting investigations into structure-activity relationships or novel compound development.
1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride structure
298703-18-1 structure
Product Name:1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride
CAS No:298703-18-1
MF:C12H15ClF3N3O2
MW:325.71461224556
CID:1075040
PubChem ID:2860723
Update Time:2025-06-12

1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]-piperazine hydrochloride
    • SR-01000216652-1
    • 298703-18-1
    • AKOS000423889
    • 1-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
    • MFCD01208354
    • YLA70318
    • 1-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Hydrochloride
    • SR-01000216652
    • 1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride
    • MDL: MFCD01208354
    • Inchi: 1S/C12H14F3N3O2.ClH/c1-16-4-6-17(7-5-16)10-3-2-9(12(13,14)15)8-11(10)18(19)20;/h2-3,8H,4-7H2,1H3;1H
    • InChI Key: JPGOHCVWKGBVBS-UHFFFAOYSA-N
    • SMILES: Cl.FC(C1C=CC(=C(C=1)[N+](=O)[O-])N1CCN(C)CC1)(F)F

Computed Properties

  • Exact Mass: 325.0804889g/mol
  • Monoisotopic Mass: 325.0804889g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 351
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Melting Point: 200-210

1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride Pricemore >>

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Additional information on 1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride

Comprehensive Overview of 1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride (CAS No. 298703-18-1)

1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride (CAS No. 298703-18-1) is a specialized chemical compound that has garnered significant attention in pharmaceutical and biochemical research. This compound, often referred to by its abbreviated name, belongs to the piperazine class of compounds, which are widely studied for their diverse biological activities. The presence of a nitro group and a trifluoromethyl moiety in its structure enhances its reactivity and potential applications in drug discovery and development.

The compound's unique structure, featuring a piperazine core, makes it a valuable intermediate in the synthesis of more complex molecules. Researchers are particularly interested in its potential as a building block for central nervous system (CNS) targeting agents, given the piperazine moiety's prevalence in psychotropic and neuroactive drugs. The hydrochloride salt form improves its solubility, facilitating its use in various experimental settings.

In recent years, the demand for fluorinated compounds like 1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride has surged due to their enhanced metabolic stability and bioavailability. Fluorination is a hot topic in medicinal chemistry, as it often improves a compound's pharmacokinetic properties. This aligns with current trends in drug development, where researchers prioritize molecules with optimized ADME (Absorption, Distribution, Metabolism, and Excretion) profiles.

Another area of interest is the compound's potential role in enzyme inhibition studies. The nitro and trifluoromethyl groups can interact with active sites of enzymes, making it a candidate for investigating enzyme-substrate interactions. This is particularly relevant in the context of cancer research and infectious disease treatment, where enzyme inhibitors play a critical role.

From a synthetic chemistry perspective, 1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride offers versatility. Its structure allows for further functionalization, enabling the creation of derivatives with tailored properties. This is especially valuable in high-throughput screening and combinatorial chemistry, where rapid generation of compound libraries is essential.

The compound's CAS No. 298703-18-1 serves as a unique identifier, ensuring precise referencing in academic and industrial research. Its inclusion in chemical databases and catalogs highlights its importance as a research tool. Scientists frequently search for this compound using terms like "piperazine derivatives," "nitro-trifluoromethyl compounds," and "hydrochloride salts in drug synthesis," reflecting its niche yet significant role in chemical research.

Environmental and safety considerations are also paramount when working with 1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride. While it is not classified as hazardous under standard regulations, proper handling and disposal protocols must be followed to ensure laboratory safety. This aligns with the growing emphasis on green chemistry and sustainable research practices.

In summary, 1-Methyl-4-2-nitro-4-(trifluoromethyl)phenyl-piperazine Hydrochloride (CAS No. 298703-18-1) is a compound of considerable interest in modern chemical and pharmaceutical research. Its structural features, combined with its potential applications in drug discovery and enzyme studies, make it a valuable asset for scientists. As research continues to evolve, this compound is likely to remain a focal point in the development of novel therapeutic agents and biochemical tools.

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