Cas no 885274-92-0 (1-(4-Bromobenzoyl)piperidin-4-one)
1-(4-Bromobenzoyl)piperidin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 4-Piperidinone,1-(4-bromobenzoyl)-
- 1-(4-bromobenzoyl)piperidin-4-one
- 1-(4-BROMO-BENZOYL)-PIPERIDIN-4-ONE
- 4-Piperidinone,1-(4-bromobenzoyl)
- 9461AH
- AK154050
- 1-(4-Bromobenzoyl)-4-piperidinone (ACI)
- SB39431
- A916025
- CS-W020207
- DTXSID30640892
- AKOS000186363
- DS-7852
- 885274-92-0
- 1-(4-Bromobenzoyl)piperidin-4-one
-
- MDL: MFCD04115035
- Inchi: 1S/C12H12BrNO2/c13-10-3-1-9(2-4-10)12(16)14-7-5-11(15)6-8-14/h1-4H,5-8H2
- InChI Key: QYMXIDAINBPSHT-UHFFFAOYSA-N
- SMILES: O=C(N1CCC(=O)CC1)C1C=CC(Br)=CC=1
Computed Properties
- Exact Mass: 281.00500
- Monoisotopic Mass: 281.00514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 275
- 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
- Topological Polar Surface Area: 37.4
- XLogP3: 1.5
Experimental Properties
- PSA: 37.38000
- LogP: 2.19210
1-(4-Bromobenzoyl)piperidin-4-one Security Information
- Hazard Statement: H302-H315-H319-H335
- Storage Condition:Sealed in dry,Room Temperature
1-(4-Bromobenzoyl)piperidin-4-one Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in 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:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1-(4-Bromobenzoyl)piperidin-4-one Pricemore >>
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| Alichem | A129005802-1g |
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885274-92-0 | 95% | 1g |
$293.55 | 2022-03-30 | |
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| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B901102-250mg |
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| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 60R0165-25g |
1-(4-Bromo-benzoyl)-piperidin-4-one |
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| Chemenu | CM124251-250mg |
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| Chemenu | CM124251-1g |
1-(4-bromobenzoyl)piperidin-4-one |
885274-92-0 | 95% | 1g |
$257 | 2023-02-18 |
1-(4-Bromobenzoyl)piperidin-4-one Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
Additional information on 1-(4-Bromobenzoyl)piperidin-4-one
Comprehensive Guide to 1-(4-Bromobenzoyl)piperidin-4-one (CAS No. 885274-92-0): Properties, Applications, and Market Insights
1-(4-Bromobenzoyl)piperidin-4-one (CAS No. 885274-92-0) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound, featuring a piperidin-4-one core substituted with a 4-bromobenzoyl group, serves as a versatile intermediate in synthetic chemistry. Its unique structural attributes make it valuable for designing novel bioactive molecules, particularly in drug discovery and material science applications.
The growing interest in 1-(4-Bromobenzoyl)piperidin-4-one is reflected in recent search trends, where researchers frequently inquire about its synthesis methods, spectroscopic data, and pharmacological potential. With the rise of AI-assisted molecular design, queries about its QSAR (Quantitative Structure-Activity Relationship) properties and docking studies have also increased. This guide explores the compound's characteristics, industrial relevance, and emerging applications while addressing common questions from the scientific community.
From a chemical perspective, 1-(4-Bromobenzoyl)piperidin-4-one exhibits distinct properties due to its hybrid structure. The piperidin-4-one moiety provides a rigid heterocyclic framework, while the bromobenzoyl group introduces both aromaticity and a reactive halogen site. This combination enables diverse chemical transformations, making the compound a strategic building block for multi-step syntheses. Recent publications highlight its role in creating kinase inhibitors and CNS-targeting agents, aligning with current drug development trends.
Analytical characterization of CAS 885274-92-0 typically involves advanced techniques such as NMR spectroscopy (showing characteristic signals at δ 7.6-7.8 ppm for aromatic protons and δ 3.7-4.1 ppm for piperidinyl protons), mass spectrometry (with expected molecular ion peaks), and HPLC purity analysis. These data points are crucial for researchers verifying compound identity—a frequent concern in synthetic chemistry forums and QA platforms.
In pharmaceutical contexts, the 1-(4-Bromobenzoyl)piperidine scaffold demonstrates remarkable versatility. Recent patent analyses reveal its incorporation into anticancer prototypes (particularly targeting protein kinases) and neuroprotective compounds. The bromine atom serves as an excellent handle for further functionalization via cross-coupling reactions (e.g., Suzuki or Buchwald-Hartwig couplings), a feature extensively discussed in modern medicinal chemistry literature.
The commercial landscape for 885274-92-0 reflects growing demand, with suppliers increasingly offering custom scale-up synthesis services. Market intelligence suggests particular interest from contract research organizations (CROs) specializing in fragment-based drug discovery. Current pricing models often correlate with purity grades (typically 95%-99%), with analytical certificates becoming a standard requirement—a shift driven by stricter quality control in preclinical research.
Environmental and handling considerations for 1-(4-Bromobenzoyl)piperidin-4-one follow standard laboratory protocols for brominated compounds. While not classified as hazardous under most regulatory frameworks, proper waste disposal procedures for halogenated byproducts remain essential. These operational aspects frequently appear in EHS (Environment, Health, and Safety) discussions within research institutions.
Emerging applications extend beyond traditional pharmaceuticals. Materials science researchers are exploring derivatives of CAS 885274-92-0 for organic electronic materials, leveraging the conjugated system formed after bromine substitution. This interdisciplinary potential makes the compound a recurring subject in grant proposals and collaborative research initiatives, especially in EU Horizon and NSF-funded projects.
Synthetic methodologies continue to evolve, with recent journals describing improved one-pot procedures for 1-(4-Bromobenzoyl)piperidin-4-one preparation. Green chemistry approaches using catalytic systems rather than stoichiometric reagents represent an active area of optimization—addressing another common query about sustainable synthesis routes for this intermediate.
For analytical scientists, method development for 885274-92-0 quantification often involves reverse-phase HPLC with UV detection (optimal at 254 nm due to the benzoyl chromophore). Stability studies indicate standard storage conditions (2-8°C under inert atmosphere) maintain integrity for extended periods—practical information frequently sought by inventory managers in research facilities.
The intellectual property landscape shows gradual expansion, with structure-activity relationship (SAR) studies incorporating 1-(4-Bromobenzoyl)piperidin-4-one derivatives appearing in recent patent applications. This trend underscores the compound's growing importance in lead optimization phases, particularly for targets like G-protein-coupled receptors (GPCRs) and epigenetic modifiers.
Academic interest manifests through increasing citations of 885274-92-0 in graduate theses and postdoctoral projects, especially those investigating heterocyclic chemistry and structure-based drug design. University technology transfer offices report rising inquiries about licensing opportunities for novel derivatives—reflecting the compound's translational potential.
Looking forward, 1-(4-Bromobenzoyl)piperidin-4-one is poised to maintain its relevance as synthetic methodologies become more efficient and its pharmacological applications diversify. The compound exemplifies how strategic molecular editing of core scaffolds can yield valuable research tools and potential therapeutics—a principle driving modern chemical biology and drug discovery paradigms.
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