Cas no 327030-39-7 (1-boc-4-(3-bromophenyl)piperazine)

1-Boc-4-(3-bromophenyl)piperazine is a protected piperazine derivative featuring a Boc (tert-butoxycarbonyl) group at the 1-position and a 3-bromophenyl substituent at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. The Boc group enhances stability and facilitates selective deprotection under mild acidic conditions, enabling further functionalization. The 3-bromophenyl moiety offers a reactive site for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, expanding its utility in constructing complex molecular architectures. Its well-defined structure and high purity make it suitable for precision applications in medicinal chemistry and material science.
1-boc-4-(3-bromophenyl)piperazine structure
327030-39-7 structure
Product Name:1-boc-4-(3-bromophenyl)piperazine
CAS No:327030-39-7
MF:C15H21BrN2O2
MW:341.243443250656
MDL:MFCD07781211
CID:301594
PubChem ID:10882380
Update Time:2025-05-22

1-boc-4-(3-bromophenyl)piperazine Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4-(3-bromophenyl)piperazine-1-carboxylate
    • 1-BOC-4-(3-Bromophenyl)piperazine
    • 1-Piperazinecarboxylicacid, 4-(3-bromophenyl)-, 1,1-dimethylethyl ester
    • 4-(3-BROMOPHENYL)PIPERAZINE, N1-BOC PROTECTED
    • 4-(3-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • 1,1-dimethylethyl 4-(3-bromophenyl)piperazine-1-carboxylate
    • 1-Bromo-3-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzene
    • 4-(3-Bromophenyl)-1-(tert-butoxycarbonyl)piperazine
    • 4-(3-Bromophenyl)piperazine-1-carboxylic acid tert-butyl ester
    • 4-tert-Butyloxycarbonyl-1-(3-bromophenyl)piperazine
    • tert-butyl-4-(3-bromophenyl)piperazine-1-carboxylate
    • AMY32995
    • AB42575
    • 4-(3-(6-chloro-2-(diaminomethyleneamino)quinazolin-4-yl)phenyl)piperazine-1-carboximidamide
    • SY019143
    • CNA03039
    • AS-72804
    • DTXSID80447010
    • DVJZPRQEOHFPQO-UHFFFAOYSA-N
    • CS-0060946
    • 4-(3-Bromophenyl)-1-piperazinecarboxylic Acid, 1,1-Dimethylethyl Ester
    • BP-21194
    • BDBM426526
    • MFCD07781211
    • SCHEMBL688837
    • 327030-39-7
    • US10543207, Example 60
    • EN300-218305
    • AKOS015837003
    • 1-boc-4-(3-bromophenyl)piperazine
    • MDL: MFCD07781211
    • Inchi: 1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-9-7-17(8-10-18)13-6-4-5-12(16)11-13/h4-6,11H,7-10H2,1-3H3
    • InChI Key: DVJZPRQEOHFPQO-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)N1CCN(C(=O)OC(C)(C)C)CC1

Computed Properties

  • Exact Mass: 340.07900
  • Monoisotopic Mass: 340.07864 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 335
  • 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
  • Molecular Weight: 341.24
  • XLogP3: 3.4
  • Topological Polar Surface Area: 32.8?2

Experimental Properties

  • PSA: 32.78000
  • LogP: 3.50910

1-boc-4-(3-bromophenyl)piperazine Security Information

  • Hazardous Material Identification: Xi

1-boc-4-(3-bromophenyl)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-boc-4-(3-bromophenyl)piperazine Production Method

Additional information on 1-boc-4-(3-bromophenyl)piperazine

Comprehensive Overview of 1-Boc-4-(3-Bromophenyl)piperazine (CAS No. 327030-39-7): Properties, Applications, and Industry Insights

1-Boc-4-(3-bromophenyl)piperazine (CAS No. 327030-39-7) is a highly versatile organic compound widely utilized in pharmaceutical research, medicinal chemistry, and drug discovery. This Boc-protected piperazine derivative features a 3-bromophenyl substituent, making it a critical intermediate for synthesizing bioactive molecules. Its molecular formula, C15H21BrN2O2, and molecular weight of 341.25 g/mol underscore its relevance in structure-activity relationship (SAR) studies and high-throughput screening.

The growing demand for piperazine-based scaffolds in CNS drug development has propelled interest in 1-Boc-4-(3-bromophenyl)piperazine. Researchers frequently search for "Boc deprotection conditions" or "piperazine derivatives in drug design," reflecting its role in optimizing blood-brain barrier permeability. Recent trends also highlight its potential in targeted protein degradation (PROTACs) and GPCR modulator synthesis, aligning with the rise of precision medicine.

From a synthetic perspective, 327030-39-7 serves as a key building block for heterocyclic compounds. Its bromine atom enables cross-coupling reactions (e.g., Suzuki-Miyaura), addressing frequent search queries like "palladium-catalyzed arylations." The Boc group offers orthogonal protection, a feature often discussed in forums on "amine protection strategies." These attributes make it indispensable for constructing multi-target-directed ligands (MTDLs) in neurodegenerative disease research.

Quality control of 1-Boc-4-(3-bromophenyl)piperazine involves rigorous HPLC purity analysis and NMR characterization, topics frequently queried alongside "CAS 327030-39-7 specifications." The compound’s stability under ambient storage conditions (typically 2-8°C) and solubility in polar aprotic solvents (DMSO, DMF) are practical considerations for laboratories. Notably, its applications extend to PET tracer development, where the 3-bromophenyl moiety facilitates isotope labeling.

Emerging discussions in green chemistry have explored solvent-free Boc deprotection methods for derivatives like 327030-39-7, responding to searches for "eco-friendly peptide synthesis." Additionally, its relevance in fragment-based drug discovery (FBDD) aligns with industry shifts toward low-molecular-weight pharmacophores. Patent analyses reveal its use in kinase inhibitor pipelines, particularly for oncological targets.

In conclusion, 1-Boc-4-(3-bromophenyl)piperazine (CAS No. 327030-39-7) remains a cornerstone in modern chemical biology. Its dual functionality as a protecting group carrier and aryl halide precursor addresses diverse research needs—from combinatorial chemistry to bioconjugation. As the pharmaceutical industry prioritizes small-molecule therapeutics, this compound’s strategic importance continues to grow, evidenced by rising scholarly citations and commercial procurement inquiries.

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