Cas no 331274-67-0 (1-Bromo-3-(4-methylpiperazinocarbonyl)benzene)

1-Bromo-3-(4-methylpiperazinocarbonyl)benzene is a brominated aromatic compound featuring a 4-methylpiperazine carbonyl substituent. This structure imparts versatility in organic synthesis, particularly in pharmaceutical and agrochemical applications, where it serves as a key intermediate for the development of bioactive molecules. The bromine atom offers a reactive site for further functionalization via cross-coupling reactions, while the 4-methylpiperazine moiety enhances solubility and potential binding affinity in target systems. Its well-defined reactivity profile and stability under standard conditions make it a reliable building block for researchers in medicinal chemistry and material science. The compound is typically handled under inert conditions to preserve its integrity.
1-Bromo-3-(4-methylpiperazinocarbonyl)benzene structure
331274-67-0 structure
Product Name:1-Bromo-3-(4-methylpiperazinocarbonyl)benzene
CAS No:331274-67-0
MF:C12H15BrN2O
MW:283.164302110672
MDL:MFCD00594888
CID:854086
PubChem ID:754228
Update Time:2025-10-21

1-Bromo-3-(4-methylpiperazinocarbonyl)benzene Chemical and Physical Properties

Names and Identifiers

    • (3-bromophenyl)-(4-methylpiperazin-1-yl)methanone
    • (3-BROMOPHENYL)(4-METHYLPIPERAZIN-1-YL)METHANONE
    • 1-Bromo-3-(4-methylpiperazinocarbonyl)benzene
    • AC1LFIBV
    • AC1Q3ZSH
    • ACMC-209hym
    • CBDivE_014203
    • Oprea1_764450
    • SureCN1688347
    • AKOS000178614
    • DTXSID90353810
    • 331274-67-0
    • 1-(3-Bromophenyl)carbonyl-4-methylpiperazine
    • AB00079109-01
    • 1-(3-bromobenzoyl)-4-methylpiperazine
    • N10345
    • MFCD00594888
    • SCHEMBL1688347
    • BS-17018
    • DB-362033
    • STK408101
    • CS-0151087
    • MDL: MFCD00594888
    • Inchi: 1S/C12H15BrN2O/c1-14-5-7-15(8-6-14)12(16)10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3
    • InChI Key: UWDFKAKQJOXLHT-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)C(N1CCN(C)CC1)=O

Computed Properties

  • Exact Mass: 282.03700
  • Monoisotopic Mass: 282.03678g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 251
  • 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
  • Topological Polar Surface Area: 23.6?2

Experimental Properties

  • PSA: 23.55000
  • LogP: 1.71250

1-Bromo-3-(4-methylpiperazinocarbonyl)benzene 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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Additional information on 1-Bromo-3-(4-methylpiperazinocarbonyl)benzene

1-Bromo-3-(4-Methylpiperazinocarbonyl)Benzene

The compound 1-Bromo-3-(4-Methylpiperazinocarbonyl)Benzene (CAS No: 331274-67-0) is a significant organic molecule with a unique structure and diverse applications in the field of chemistry and materials science. This compound is characterized by its bromine atom attached to a benzene ring, which is further substituted with a 4-methylpiperazinocarbonyl group at the 3-position. The presence of these functional groups imparts the molecule with distinctive chemical properties, making it a valuable compound in various research and industrial settings.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of 1-Bromo-3-(4-Methylpiperazinocarbonyl)Benzene through various methodologies, including nucleophilic aromatic substitution and coupling reactions. These methods have not only improved the yield but also enhanced the purity of the compound, making it more accessible for large-scale production and application.

The structural features of 1-Bromo-3-(4-Methylpiperazinocarbonyl)Benzene make it an ideal candidate for exploring its potential in drug discovery and development. The bromine atom serves as an excellent leaving group, facilitating further substitution reactions to introduce bioactive moieties. Additionally, the piperazine ring, a six-membered heterocyclic structure, contributes to the molecule's ability to interact with biological targets, such as enzymes and receptors, through hydrogen bonding and hydrophobic interactions.

Recent studies have highlighted the role of 1-Bromo-3-(4-Methylpiperazinocarbonyl)Benzene in medicinal chemistry as a precursor for designing bioactive compounds with potential therapeutic applications. For instance, researchers have utilized this compound as a building block for synthesizing inhibitors of kinase enzymes, which are implicated in various diseases, including cancer and inflammatory disorders.

In addition to its role in drug discovery, 1-Bromo-3-(4-Methylpiperazinocarbonyl)Benzene has found applications in materials science, particularly in the synthesis of advanced materials such as polymers and hybrid organic-inorganic frameworks. The bromine atom's reactivity allows for easy incorporation into polymer backbones, while the piperazine group provides additional functionality for cross-linking and network formation.

From an environmental perspective, understanding the degradation pathways and toxicity profiles of 1-Bromo-3-(4-Methylpiperazinocarbonyl)Benzene is crucial for ensuring its safe use in industrial processes. Recent research has focused on evaluating its biodegradation under various conditions, with findings suggesting that it undergoes microbial degradation under aerobic conditions, reducing its environmental impact.

In conclusion, 1-Bromo-3-(4-Methylpiperazinocarbonyl)Benzene (CAS No: 331274-67-0) stands out as a versatile compound with wide-ranging applications across multiple disciplines. Its unique structure and reactivity continue to drive innovative research efforts, paving the way for new discoveries and advancements in chemistry and related fields.

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