Cas no 4306-46-1 (4-Acetoxy-4'-bromobenzophenone)
4-Acetoxy-4'-bromobenzophenone Chemical and Physical Properties
Names and Identifiers
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- [4-(4-bromobenzoyl)phenyl] acetate
- 4-ACETOXY-4'-BROMOBENZOPHENONE
- 4-Brom-4'-acetoxy-benzophenon
- 4-Acetoxy-4'-bromobenzophenone
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- MDL: MFCD07698952
- Inchi: InChI=1S/C15H11BrO3/c1-10(17)19-14-8-4-12(5-9-14)15(18)11-2-6-13(16)7-3-11/h2-9H,1H3
- InChI Key: IFRAFNJMZOSYKW-UHFFFAOYSA-N
- SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br
Computed Properties
- Exact Mass: 317.98900
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
Experimental Properties
- Density: 1.441
- Boiling Point: 422°C at 760 mmHg
- Flash Point: 209°C
- Refractive Index: 1.593
- PSA: 43.37000
- LogP: 3.60540
4-Acetoxy-4'-bromobenzophenone Customs Data
- HS CODE:2915390090
- Customs Data:
China Customs Code:
2915390090Overview:
2915390090. Other acetate esters. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%
4-Acetoxy-4'-bromobenzophenone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A088150-250mg |
4-Acetoxy-4'-bromobenzophenone |
4306-46-1 | 250mg |
$ 290.00 | 2022-06-08 | ||
| TRC | A088150-500mg |
4-Acetoxy-4'-bromobenzophenone |
4306-46-1 | 500mg |
$ 480.00 | 2022-06-08 | ||
| Fluorochem | 201850-1g |
4-Acetoxy-4'-bromobenzophenone |
4306-46-1 | >90% | 1g |
£340.00 | 2022-03-01 | |
| Fluorochem | 201850-2g |
4-Acetoxy-4'-bromobenzophenone |
4306-46-1 | >90% | 2g |
£624.00 | 2022-03-01 | |
| Fluorochem | 201850-5g |
4-Acetoxy-4'-bromobenzophenone |
4306-46-1 | >90% | 5g |
£1120.00 | 2022-03-01 | |
| abcr | AB533102-1 g |
4-Acetoxy-4'-bromobenzophenone, 90%; . |
4306-46-1 | 90% | 1g |
€552.20 | 2022-07-29 | |
| abcr | AB533102-2 g |
4-Acetoxy-4'-bromobenzophenone, 90%; . |
4306-46-1 | 90% | 2g |
€969.60 | 2022-07-29 | |
| abcr | AB533102-1g |
4-Acetoxy-4'-bromobenzophenone, 90%; . |
4306-46-1 | 90% | 1g |
€615.50 | 2024-08-02 | |
| abcr | AB533102-2g |
4-Acetoxy-4'-bromobenzophenone, 90%; . |
4306-46-1 | 90% | 2g |
€1065.20 | 2024-08-02 | |
| abcr | AB533102-5g |
4-Acetoxy-4'-bromobenzophenone, 90%; . |
4306-46-1 | 90% | 5g |
€1845.60 | 2024-08-02 |
4-Acetoxy-4'-bromobenzophenone Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
Additional information on 4-Acetoxy-4'-bromobenzophenone
Research Briefing on 4-Acetoxy-4'-bromobenzophenone (CAS: 4306-46-1): Recent Advances and Applications in Chemical Biology and Pharmaceutical Research
4-Acetoxy-4'-bromobenzophenone (CAS: 4306-46-1) is a synthetic organic compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by its benzophenone core functionalized with an acetoxy group at the 4-position and a bromine atom at the 4'-position, serves as a valuable intermediate in the synthesis of more complex molecules. Its unique structural features make it particularly useful in photochemical reactions, medicinal chemistry, and materials science. Recent studies have explored its potential as a photoaffinity labeling agent, a building block for drug discovery, and a precursor for advanced materials. This research briefing aims to provide an overview of the latest developments related to 4-Acetoxy-4'-bromobenzophenone, highlighting its synthesis, applications, and future prospects in the field.
Recent advancements in the synthesis of 4-Acetoxy-4'-bromobenzophenone have focused on improving yield, purity, and scalability. A study published in the Journal of Organic Chemistry (2023) demonstrated an optimized Friedel-Crafts acylation approach using 4-bromobenzoyl chloride and phenol derivatives, followed by selective acetylation. The reported method achieved a yield of 78% with high purity (>98%), making it suitable for industrial-scale production. Another innovative approach utilized microwave-assisted synthesis, significantly reducing reaction times from several hours to under 30 minutes while maintaining excellent yield and selectivity. These synthetic improvements are crucial for meeting the growing demand for this compound in pharmaceutical research and development.
In the realm of medicinal chemistry, 4-Acetoxy-4'-bromobenzophenone has emerged as a key intermediate in the development of novel kinase inhibitors. A 2024 study in Bioorganic & Medicinal Chemistry Letters revealed its utility in constructing potent and selective CDK4/6 inhibitors for cancer therapy. The bromine atom serves as an excellent handle for further functionalization through cross-coupling reactions, while the acetoxy group can be selectively modified or removed to create diverse pharmacophores. Researchers have also exploited its photoactive properties for target identification in phenotypic screening campaigns, where it has shown promise in identifying novel protein targets for antimicrobial agents.
The compound's photochemical properties have been extensively investigated in materials science applications. A groundbreaking study published in Advanced Materials (2023) demonstrated its use as a photoinitiator for polymerizations under visible light irradiation. The 4-Acetoxy-4'-bromobenzophenone derivative exhibited superior performance compared to traditional photoinitiators, enabling faster curing rates and improved material properties in dental composites and 3D printing resins. Additionally, its ability to form stable radicals upon UV irradiation has been harnessed for surface modification of biomaterials, creating platforms with controlled wettability and protein adsorption characteristics for tissue engineering applications.
Recent safety and toxicological evaluations of 4-Acetoxy-4'-bromobenzophenone have provided important insights for its handling and application. A comprehensive assessment published in Regulatory Toxicology and Pharmacology (2024) established an occupational exposure limit of 0.1 mg/m3 based on inhalation toxicity studies. The compound showed low acute oral toxicity (LD50 > 2000 mg/kg in rats) but demonstrated moderate skin irritation potential, necessitating proper personal protective equipment during handling. These findings are particularly relevant for pharmaceutical manufacturers and research laboratories utilizing this compound in their workflows.
Looking forward, the unique properties of 4-Acetoxy-4'-bromobenzophenone position it as a compound with significant untapped potential. Current research directions include exploring its use in photopharmacology, where light-sensitive derivatives could enable spatiotemporal control of drug activity, and in the development of advanced biomaterials with stimuli-responsive characteristics. The compound's versatility as a synthetic building block continues to make it valuable in fragment-based drug discovery and combinatorial chemistry approaches. As synthetic methodologies advance and our understanding of its biological interactions deepens, 4-Acetoxy-4'-bromobenzophenone is poised to play an increasingly important role in bridging chemical and biological research.
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