Cas no 1020253-03-5 (N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide)
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
- 4-Bromo-N,N-diethyl-3-(trifluoromethyl)-benzenesulfonamide
- N,N-DIETHYL 4-BROMO-3-TRIFLUOROMETHYLBENZENESULFONAMIDE
- DB-371221
- AKOS015835219
- BS-19181
- N,N-Diethyl-4-bromo-3-trifluoromethylbenzenesulfonamide
- DTXSID90674375
- MFCD09972159
- CS-0212074
- Benzenesulfonamide, 4-bromo-N,N-diethyl-3-(trifluoromethyl)-
- N,N-Diethyl 4-bromo-3-(trifluoromethyl)benzenesulfonamide
- 4-Bromo-N,N-diethyl-3-(trifluoromethyl)benzene-1-sulfonamide
- 1020253-03-5
- N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide
-
- MDL: MFCD09972159
- Inchi: 1S/C11H13BrF3NO2S/c1-3-16(4-2)19(17,18)8-5-6-10(12)9(7-8)11(13,14)15/h5-7H,3-4H2,1-2H3
- InChI Key: YWTSSKIFTPDTJV-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=CC=1C(F)(F)F)S(N(CC)CC)(=O)=O
Computed Properties
- Exact Mass: 358.98000
- Monoisotopic Mass: 358.98025g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 390
- 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: 3.4
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Density: 1.515±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Insuluble (2.9E-3 g/L) (25 oC),
- PSA: 45.76000
- LogP: 4.57920
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide Customs Data
- HS CODE:2935009090
- Customs Data:
China Customs Code:
2935009090Overview:
2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%
Declaration elements:
Product Name, component content, use to
Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB272882-250 mg |
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide, 97%; . |
1020253-03-5 | 97% | 250mg |
€246.00 | 2023-06-22 | |
| abcr | AB272882-1 g |
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide, 97%; . |
1020253-03-5 | 97% | 1g |
€467.00 | 2023-06-22 | |
| Fluorochem | 213654-250mg |
4-Bromo-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide |
1020253-03-5 | 95% | 250mg |
£150.00 | 2022-02-28 | |
| Fluorochem | 213654-1g |
4-Bromo-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide |
1020253-03-5 | 95% | 1g |
£313.00 | 2022-02-28 | |
| Fluorochem | 213654-5g |
4-Bromo-N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide |
1020253-03-5 | 95% | 5g |
£1188.00 | 2022-02-28 | |
| TRC | D443888-25mg |
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide |
1020253-03-5 | 25mg |
$64.00 | 2023-05-18 | ||
| TRC | D443888-50mg |
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide |
1020253-03-5 | 50mg |
$69.00 | 2023-05-18 | ||
| TRC | D443888-100mg |
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide |
1020253-03-5 | 100mg |
$98.00 | 2023-05-18 | ||
| TRC | D443888-250mg |
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide |
1020253-03-5 | 250mg |
$167.00 | 2023-05-18 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1282744-250mg |
N,N-Diethyl-4-bromo-3-trifluoromethylbenzenesulfonamide |
1020253-03-5 | 97% | 250mg |
¥1600 | 2023-04-17 |
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide Related Literature
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
Additional information on N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide: A Versatile Building Block in Modern Chemistry
N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide (CAS No. 1020253-03-5) is a specialized sulfonamide derivative that has garnered significant attention in synthetic and medicinal chemistry due to its unique structural features and reactivity. This compound, characterized by the presence of a bromine substituent and a trifluoromethyl group on the benzene ring, serves as a valuable intermediate in the synthesis of complex molecules. Its molecular formula is C11H13BrF3NO2S, with a molecular weight of approximately 348.19 g/mol. The combination of electron-withdrawing groups, such as the trifluoromethyl moiety, and the sulfonamide functionality enhances its utility in various chemical transformations, making it a subject of interest for researchers exploring novel pharmaceutical agents and agrochemical compounds. In recent years, the demand for such functionalized aromatic compounds has surged, driven by advancements in drug discovery and materials science, aligning with trends in sustainable chemistry and green synthesis methods.
The chemical properties of N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide are defined by its robust stability and reactivity profile. The bromine atom at the para position allows for facile cross-coupling reactions, such as Suzuki or Heck couplings, which are pivotal in constructing carbon-carbon bonds for complex molecular architectures. This reactivity is particularly relevant in the context of AI-driven drug design, where computational models often predict the efficacy of brominated intermediates in targeting specific biological pathways. Additionally, the trifluoromethyl group imparts high lipophilicity and metabolic stability, traits highly sought after in the development of bioactive molecules. These properties make this compound a cornerstone in synthesizing compounds with potential applications in treating diseases like cancer or inflammation, topics frequently searched by users interested in personalized medicine and targeted therapies. Moreover, its sulfonamide group can engage in hydrogen bonding, enhancing interactions in biological systems, which is a hot topic in molecular docking studies and cheminformatics.
In terms of applications, N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide is extensively used as a key intermediate in organic synthesis. It plays a crucial role in the production of heterocyclic compounds, which are foundational in many pharmaceuticals and agrochemicals. For instance, it can be utilized to synthesize sulfonamide-based inhibitors that modulate enzyme activity, a area of high interest due to the rise of precision agriculture and sustainable farming practices. Users often search for compounds that contribute to crop protection and disease resistance in plants, and this molecule's derivatives could offer solutions by acting as potent agents against pathogens. Furthermore, in materials science, its aromatic core and functional groups make it suitable for developing advanced polymers and electronic materials, aligning with trends in renewable energy and smart materials. The compound's versatility also extends to catalysis, where it can serve as a ligand or precursor in catalytic systems, supporting innovations in green chemistry initiatives that reduce environmental impact.
The synthesis and handling of N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide involve standard laboratory techniques, emphasizing safety and efficiency. Typically, it is prepared through sulfonylation reactions starting from appropriately substituted benzene derivatives, followed by purification via chromatography. This process highlights the importance of process optimization and scale-up strategies, which are frequently discussed in online forums and research databases. Users interested in laboratory safety protocols and chemical storage often seek information on best practices, and this compound's stable nature under controlled conditions makes it a model for such discussions. Additionally, its compatibility with automated synthesis platforms and high-throughput screening aligns with the growing integration of AI and robotics in chemistry, a trending topic among researchers aiming to accelerate drug discovery pipelines.
Market dynamics for N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide reflect its growing importance in the chemical industry. With a CAS registry number 1020253-03-5, it is readily available from suppliers specializing in fine chemicals and custom synthesis services. The global demand is driven by its applications in pharmaceutical research, particularly in developing small molecule therapeutics for oncology and neurology. Searches for chemical suppliers and pricing trends are common among professionals, and this compound's niche market position ensures its relevance in supply chain discussions. Moreover, the emphasis on intellectual property and patent landscapes surrounding sulfonamide derivatives makes it a point of interest for innovators looking to protect novel inventions. As industries move towards circular economy models, the compound's potential for recyclability and low environmental footprint further enhances its appeal, matching user queries on eco-friendly chemicals and sustainable innovation.
In conclusion, N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide (CAS No. 1020253-03-5) stands out as a multifaceted compound with significant implications across multiple sectors. Its structural attributes, including the bromine and trifluoromethyl groups, enable diverse chemical modifications that cater to evolving needs in medicinal chemistry and material science. By addressing common search topics like drug development intermediates and green synthesis routes, this introduction aims to provide a comprehensive overview that is both informative and optimized for discoverability. As research continues to uncover new applications, this compound will undoubtedly remain a valuable asset in the toolkit of chemists and engineers worldwide, contributing to advancements that benefit society in alignment with global sustainability goals.
1020253-03-5 (N,N-Diethyl 4-bromo-3-trifluoromethylbenzenesulfonamide) Related Products
- 951884-69-8(1-(3-Bromo-5-trifluoromethylphenylsulfonyl)piperidine)
- 957062-78-1(N,N-Dipropyl 3-bromo-5-trifluoromethylbenzenesulfonamide)
- 951884-65-4(N,N-Dimethyl 3-bromo-5-trifluoromethylbenzenesulfonamide)
- 1020253-05-7(4-Bromo-N-butyl-3-(trifluoromethyl)benzenesulfonamide)
- 1020253-01-3(N-Methyl 4-bromo-3-trifluoromethylbenzenesulfonamide)
- 1020253-04-6(4-(4-Bromo-3-(trifluoromethyl)phenylsulfonyl)morpholine)
- 97630-12-1(1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride)
- 850429-71-9(N,N-Diethyl 3-bromo-4-methylbenzenesulfonamide)
- 939989-87-4(4-Bromo-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide)
- 1020253-00-2(N-Propyl 4-Bromo-3-trifluoromethylbenzenesulfonamide)