Cas no 1156296-38-6 (3-(4-bromophenyl)cyclobutan-1-amine)

3-(4-Bromophenyl)cyclobutan-1-amine is a brominated cyclobutylamine derivative with a phenyl substituent, offering a unique structural motif for synthetic and medicinal chemistry applications. Its cyclobutane ring provides rigidity, while the 4-bromophenyl group enhances reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. The primary amine functionality allows for further derivatization, making it a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, or functional materials. The compound's well-defined stereochemistry and stability under standard conditions contribute to its utility in targeted molecular design. Its purity and consistent performance make it suitable for research and industrial-scale applications requiring precise structural control.
3-(4-bromophenyl)cyclobutan-1-amine structure
1156296-38-6 structure
Product Name:3-(4-bromophenyl)cyclobutan-1-amine
CAS No:1156296-38-6
MF:C10H12BrN
MW:226.112981796265
MDL:MFCD12097692
CID:1056898
PubChem ID:43632390
Update Time:2025-05-19

3-(4-bromophenyl)cyclobutan-1-amine Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Bromophenyl)cyclobutanamine
    • 3-(4-bromophenyl)cyclobutan-1-amine
    • 1156296-38-6
    • 1807937-14-9
    • AKOS009826212
    • AMY20216
    • AKOS026744534
    • (1r,3r)-3-(4-bromophenyl)cyclobutan-1-amine
    • DB-021490
    • 2007909-48-8
    • MFCD12097692
    • EN300-196206
    • CS-0441509
    • cis-3-(4-Bromophenyl)cyclobutanamine
    • SCHEMBL19297332
    • F53252
    • SY017013
    • EN300-146197
    • trans-3-(4-Bromophenyl)cyclobutanamine
    • Cyclobutanamine, 3-(4-bromophenyl)-
    • MDL: MFCD12097692
    • Inchi: 1S/C10H12BrN/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8,10H,5-6,12H2
    • InChI Key: VNQNQKQBKMLKQN-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C1CC(C1)N

Computed Properties

  • Exact Mass: 225.01500
  • Monoisotopic Mass: 225.01531g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 146
  • 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: 2.3
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.02000
  • LogP: 3.35410

3-(4-bromophenyl)cyclobutan-1-amine Customs Data

  • HS CODE:2921499090
  • Customs Data:

    China Customs Code:

    2921499090

    Overview:

    2921499090 Other aromatic monoamines and derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-(4-bromophenyl)cyclobutan-1-amine Pricemore >>

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Additional information on 3-(4-bromophenyl)cyclobutan-1-amine

Introduction to 3-(4-bromophenyl)cyclobutan-1-amine (CAS No. 1156296-38-6)

3-(4-bromophenyl)cyclobutan-1-amine, identified by the Chemical Abstracts Service Number (CAS No.) 1156296-38-6, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This bicyclic amine derivative features a cyclobutane ring substituted with a brominated phenyl group, making it a versatile scaffold for the development of novel bioactive molecules. The structural motif of this compound has garnered attention due to its potential applications in drug discovery, particularly in the synthesis of pharmacophores targeting various biological pathways.

The bromophenyl moiety in 3-(4-bromophenyl)cyclobutan-1-amine plays a crucial role in modulating the electronic and steric properties of the molecule. The presence of the bromine atom at the para position relative to the amine group enhances reactivity, allowing for further functionalization through cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings. These transformations are pivotal in constructing more complex molecular architectures, which can be essential for achieving high affinity and selectivity in drug design.

Recent advancements in medicinal chemistry have highlighted the utility of cyclobutane derivatives in medicinal applications. The rigid three-membered ring in 3-(4-bromophenyl)cyclobutan-1-amine contributes to optimal spatial orientation of substituents, which is critical for binding to biological targets such as enzymes and receptors. This structural feature has been leveraged in the design of inhibitors targeting kinases and other enzyme families implicated in diseases ranging from cancer to inflammatory disorders.

In the context of drug discovery, 3-(4-bromophenyl)cyclobutan-1-amine serves as a valuable intermediate for synthesizing analogs with tailored pharmacological properties. Researchers have demonstrated its incorporation into libraries of small molecules for high-throughput screening (HTS) campaigns, aiming to identify lead compounds with therapeutic potential. The bromine substituent further facilitates derivatization, enabling the exploration of diverse chemical space without compromising structural integrity.

The pharmacological profile of 3-(4-bromophenyl)cyclobutan-1-amine and its derivatives has been explored in several preclinical studies. Notably, compounds derived from this scaffold have shown promise as inhibitors of cyclin-dependent kinases (CDKs), which are key regulators of cell cycle progression. By modulating CDK activity, these molecules may offer therapeutic benefits in oncology, particularly against cancers with aberrant cell cycle control. Additionally, preliminary data suggest potential interactions with other targets such as protein tyrosine kinases (PTKs), underscoring its broad applicability.

The synthesis of 3-(4-bromophenyl)cyclobutan-1-amine involves multi-step organic transformations that highlight modern synthetic methodologies. Key steps include bromination of a phenyl precursor followed by cycloaddition reactions to construct the cyclobutane core. Advances in catalytic systems have enabled more efficient and sustainable routes to this intermediate, aligning with green chemistry principles. Such improvements are essential for large-scale production and commercialization of pharmaceuticals derived from this compound.

From a computational chemistry perspective, 3-(4-bromophenyl)cyclobutan-1-amine has been subjected to extensive molecular modeling studies to elucidate its binding interactions with biological targets. Quantum mechanical calculations have provided insights into its electronic structure and reactivity, aiding rational drug design efforts. These computational approaches are increasingly integral to modern medicinal chemistry workflows, complementing experimental techniques and accelerating the discovery process.

The role of 3-(4-bromophenyl)cyclobutan-1-amine extends beyond academic research into industrial applications. Pharmaceutical companies have incorporated this compound into their proprietary libraries, recognizing its synthetic versatility and potential therapeutic relevance. As drug development pipelines continue to evolve, intermediates like 3-(4-bromophenyl)cyclobutan-1-amine will remain indispensable tools for chemists seeking innovative solutions to unmet medical needs.

In conclusion, 3-(4-bromophenyl)cyclobutan-1-amine (CAS No. 1156296-38-6) represents a compelling example of how structural innovation can drive pharmaceutical progress. Its unique combination of reactivity and binding properties makes it a cornerstone in the synthesis of bioactive molecules targeting diverse diseases. As research continues to uncover new applications for this compound and its derivatives, it will undoubtedly remain a focal point in both academic and industrial settings within the pharmaceutical industry.

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