Cas no 1261940-25-3 (1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine)

1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine is a halogenated phenylpiperazine derivative with potential applications in pharmaceutical and chemical research. Its structural features, including the bromo and chloro substituents on the phenyl ring, along with the methylpiperazine moiety, make it a versatile intermediate for the synthesis of biologically active compounds. The compound exhibits high purity and stability, ensuring reliable performance in synthetic pathways. Its well-defined molecular structure allows for precise modifications, facilitating the development of novel pharmacophores. Researchers value this compound for its utility in medicinal chemistry, particularly in the design of CNS-targeting agents and receptor ligands. Proper handling and storage are recommended to maintain its integrity.
1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine structure
1261940-25-3 structure
Product Name:1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine
CAS No:1261940-25-3
MF:C11H14BrClN2
MW:289.599260807037
MDL:MFCD18311873
CID:1025187
PubChem ID:53217036
Update Time:2025-05-20

1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine
    • CS-0208532
    • MFCD18311873
    • DTXSID00682143
    • BS-20239
    • 1261940-25-3
    • AKOS015835246
    • Piperazine, 1-(2-bromo-5-chlorophenyl)-4-methyl-
    • DB-362696
    • A889553
    • MDL: MFCD18311873
    • Inchi: 1S/C11H14BrClN2/c1-14-4-6-15(7-5-14)11-8-9(13)2-3-10(11)12/h2-3,8H,4-7H2,1H3
    • InChI Key: LJISIBKGVWYZLX-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1N1CCN(C)CC1)Cl

Computed Properties

  • Exact Mass: 288.00300
  • Monoisotopic Mass: 288.00289g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 207
  • 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: 3.2
  • Topological Polar Surface Area: 6.5?2

Experimental Properties

  • PSA: 6.48000
  • LogP: 2.85720

1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine 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%

1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine Pricemore >>

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Additional information on 1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine

1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine: A Comprehensive Overview

1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine, also known by its CAS number 1261940-25-3, is a highly specialized organic compound that has garnered significant attention in the fields of pharmaceutical chemistry and materials science. This compound is a derivative of piperazine, a six-membered ring containing two nitrogen atoms, which is widely recognized for its versatility in drug design and synthesis. The presence of bromine and chlorine substituents on the phenyl ring further enhances its chemical reactivity and biological activity, making it a valuable intermediate in the development of novel therapeutic agents.

The structure of 1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine consists of a piperazine ring fused with a phenyl group substituted with bromine at the 2-position and chlorine at the 5-position. The methyl group attached to the piperazine nitrogen adds to its structural complexity and potential for functionalization. This unique combination of substituents allows the compound to exhibit a wide range of chemical properties, including high reactivity towards nucleophilic aromatic substitution and excellent solubility in organic solvents.

Recent studies have highlighted the importance of 1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine in the synthesis of bioactive molecules, particularly in the development of kinase inhibitors and GPCR modulators. Its ability to form stable complexes with various biomolecules has made it a valuable tool in drug discovery programs targeting diseases such as cancer, neurodegenerative disorders, and inflammatory conditions.

In terms of synthesis, 1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine can be prepared through a variety of methods, including nucleophilic aromatic substitution, Buchwald-Hartwig amination, and Ullmann coupling reactions. These methods have been optimized to achieve high yields and selectivity, ensuring that the compound can be produced on a large scale for both academic and industrial applications.

The applications of 1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine extend beyond drug discovery, with recent research exploring its use as a building block in materials science. For instance, it has been employed in the synthesis of advanced polymers and hybrid materials with tailored electronic and mechanical properties. Its ability to form covalent bonds with other functional groups makes it an ideal candidate for constructing complex molecular architectures.

In conclusion, 1-(2-Bromo-5-chlorophenyl)-4-methylpiperazine, CAS number 1261940-25-3, is a versatile compound with immense potential in various scientific disciplines. Its unique structure, combined with its reactivity and bioavailability, positions it as a key player in the development of innovative solutions across pharmaceuticals, materials science, and beyond.

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