Cas no 115562-53-3 (N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide)
N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide Chemical and Physical Properties
Names and Identifiers
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- AMTS
- N-(4-Aminobenzyl)-N,4-dimethylbenzenesulfonamide
- N-[(4-aminophenyl)methyl]-N,4-dimethylbenzenesulfonamide
- I14-1343
- N-(4-Aminobenzyl)-N-methyl-p-Toluenesulfonamide
- N-methyl-N-(4'-aminobenzyl)-4-toluenesulfonamide
- AKOS009494156
- FT-0751741
- N-[(4-Aminophenyl)methyl]-N,4-dimethylbenzene-1-sulfonamide
- 115562-53-3
- DTXSID80656069
- N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide
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- Inchi: 1S/C15H18N2O2S/c1-12-3-9-15(10-4-12)20(18,19)17(2)11-13-5-7-14(16)8-6-13/h3-10H,11,16H2,1-2H3
- InChI Key: UBUUFWMIYYCCAI-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C)=CC=1)(N(C)CC1C=CC(=CC=1)N)(=O)=O
Computed Properties
- Exact Mass: 290.10900
- Monoisotopic Mass: 290.109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 389
- 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: 71.8A^2
- XLogP3: 2.2
Experimental Properties
- Density: 1.239
- Boiling Point: 475.5°C at 760 mmHg
- Flash Point: 241.4°C
- Refractive Index: 1.614
- PSA: 71.78000
- LogP: 4.05990
N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | N293660-2.5mg |
N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide |
115562-53-3 | 2.5mg |
$ 200.00 | 2022-06-03 | ||
| TRC | N293660-5mg |
N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide |
115562-53-3 | 5mg |
$ 370.00 | 2022-06-03 | ||
| TRC | N293660-10mg |
N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide |
115562-53-3 | 10mg |
$ 585.00 | 2022-06-03 |
N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide Suppliers
N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
Additional information on N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide
Introduction to N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide (CAS No. 115562-53-3)
N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide, with the chemical identifier CAS No. 115562-53-3, is a compound of significant interest in the field of pharmaceutical chemistry and bioorganic synthesis. This molecule, characterized by its unique structural framework, has garnered attention due to its potential applications in drug development and molecular recognition processes. The presence of both an amino group and a sulfonamide moiety in its structure imparts distinct chemical properties that make it a valuable candidate for various biochemical and medicinal chemistry investigations.
The compound's structure consists of a benzyl group linked to a methylamino group, with the sulfonamide functionality attached to the para position of the toluene ring. This arrangement not only contributes to its stability but also enhances its reactivity, making it suitable for further functionalization and derivatization. The sulfonamide group, in particular, is well-known for its role as a pharmacophore in numerous therapeutic agents, where it often participates in hydrogen bonding interactions and influences the overall solubility and bioavailability of the drug molecule.
In recent years, there has been a growing interest in exploring the pharmacological properties of N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide. Research has indicated that this compound exhibits promising activities as an intermediate in the synthesis of more complex pharmaceuticals. Its ability to undergo various chemical transformations, such as nucleophilic substitution reactions and condensation reactions, makes it a versatile building block for medicinal chemists. Additionally, the compound's solubility profile in both polar and nonpolar solvents enhances its utility in different reaction conditions.
One of the most compelling aspects of N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide is its potential role in developing novel therapeutic agents. Studies have shown that derivatives of this compound may exhibit inhibitory effects on certain enzymes and receptors, which are implicated in various diseases. For instance, modifications to the benzyl group or the sulfonamide moiety have been explored to optimize binding affinity and selectivity. These modifications are crucial for improving the efficacy and minimizing side effects in drug candidates.
The synthesis of N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide involves multi-step organic reactions that require precise control over reaction conditions. The process typically begins with the preparation of 4-aminobenzylamine, which is then reacted with methyl p-toluenesulfonyl chloride to form the desired sulfonamide derivative. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions, have also been employed to enhance yield and purity. These methods align with contemporary trends in synthetic organic chemistry, emphasizing efficiency and sustainability.
Recent advancements in computational chemistry have further facilitated the study of N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide. Molecular modeling techniques allow researchers to predict the binding interactions between this compound and biological targets with high accuracy. This approach has been instrumental in designing modified versions of the molecule that exhibit improved pharmacological properties. By integrating experimental data with computational simulations, scientists can accelerate the discovery process and reduce the time required to bring new drugs to market.
The role of N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide in drug development extends beyond its use as an intermediate. It has also been investigated as a potential scaffold for creating novel antimicrobial agents. The sulfonamide group is known to disrupt bacterial cell wall synthesis, making it an effective target for antibiotic development. By incorporating this compound into drug design strategies, researchers aim to overcome emerging challenges related to antibiotic resistance.
In conclusion, N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide (CAS No. 115562-53-3) represents a significant advancement in pharmaceutical chemistry. Its unique structural features and reactivity profile make it a valuable tool for developing new therapeutic agents. Ongoing research continues to uncover novel applications for this compound, reinforcing its importance in modern drug discovery efforts. As scientific understanding progresses, it is likely that N-(4-Aminobenzyl)-N-methyl-p-toluenesulfonamide will play an increasingly pivotal role in shaping future treatments for various diseases.
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