Cas no 1196157-86-4 (2,6-Dineopentylaniline)
2,6-Dineopentylaniline Chemical and Physical Properties
Names and Identifiers
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- 2,6-Dineopentylaniline
- 2,6-Bis(2,2-dimethylpropyl)aniline
- DTXSID10736126
- 2,6-Dineopentylaniline, 95%
- 1196157-86-4
- Benzenamine, 2,6-bis(2,2-dimethylpropyl)-
- AKOS025294150
- SCHEMBL1275547
-
- MDL: MFCD15143637
- Inchi: 1S/C16H27N/c1-15(2,3)10-12-8-7-9-13(14(12)17)11-16(4,5)6/h7-9H,10-11,17H2,1-6H3
- InChI Key: MVMYJQKKCVQHEN-UHFFFAOYSA-N
- SMILES: NC1C(=CC=CC=1CC(C)(C)C)CC(C)(C)C
Computed Properties
- Exact Mass: 233.214349865g/mol
- Monoisotopic Mass: 233.214349865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 207
- 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: 5.2
- Topological Polar Surface Area: 26?2
Experimental Properties
- Melting Point: 41-46?°C
- Flash Point: Degrees Fahrenheit:>230°F
Degrees Celsius:>110°C
2,6-Dineopentylaniline Security Information
- Hazard Statement: H413
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
2,6-Dineopentylaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 683078-250MG |
2,6-Dineopentylaniline |
1196157-86-4 | 95% | 250MG |
¥1257.46 | 2022-02-24 |
2,6-Dineopentylaniline Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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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
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
Additional information on 2,6-Dineopentylaniline
Professional Introduction to Compound with CAS No. 1196157-86-4 and Product Name: 2,6-Dineopentylaniline
2,6-Dineopentylaniline, identified by the Chemical Abstracts Service registry number CAS No. 1196157-86-4, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and materials science. This compound, characterized by its unique molecular structure, exhibits a range of properties that make it valuable for various applications, particularly in the development of novel therapeutic agents and advanced material formulations. The neopentyl group substitution in the aniline backbone imparts distinct steric and electronic characteristics, influencing its reactivity and interaction with biological targets.
The synthesis of 2,6-Dineopentylaniline involves a meticulous approach to ensure high purity and yield, typically requiring multi-step organic transformations. The introduction of the neopentyl groups at the 2- and 6-positions of the aniline ring enhances the compound's stability and solubility profile, making it more amenable to further functionalization. This structural feature is particularly advantageous in medicinal chemistry, where optimal pharmacokinetic properties are often critical for drug efficacy.
In recent years, 2,6-Dineopentylaniline has been explored as a key intermediate in the synthesis of bioactive molecules. Its aromatic core serves as a scaffold for appending various pharmacophores, enabling the design of compounds with targeted biological activities. For instance, researchers have leveraged this compound to develop novel inhibitors of enzymatic pathways implicated in inflammatory diseases and cancer. The neopentyl substituents contribute to favorable interactions with protein targets, potentially improving drug binding affinity and selectivity.
One of the most compelling aspects of 2,6-Dineopentylaniline is its versatility in material science applications. The compound's ability to form stable complexes with other molecules makes it suitable for use in sensor technologies and functional coatings. Recent studies have demonstrated its utility in developing highly sensitive chemical sensors capable of detecting trace amounts of environmental pollutants. The robustness of the neopentyl groups ensures that these sensors maintain their integrity under varying conditions, enhancing their practical applicability.
The pharmaceutical industry has also shown interest in 2,6-Dineopentylaniline for its potential role in drug discovery. Its structural motif is reminiscent of established pharmacological agents, suggesting that derivatives of this compound could exhibit similar therapeutic effects with improved properties. For example, modifications at the amine group could yield compounds with enhanced metabolic stability or altered receptor binding profiles. Such modifications are often pursued to optimize drug candidates for clinical development.
Advances in computational chemistry have further accelerated the exploration of 2,6-Dineopentylaniline derivatives. Molecular modeling studies have provided insights into how structural variations influence biological activity, guiding the design of more effective molecules. These simulations have been particularly useful in predicting binding affinities and identifying promising candidates for experimental validation. The integration of experimental data with computational predictions has streamlined the drug discovery process, making compounds like 2,6-Dineopentylaniline more accessible for therapeutic development.
Moreover, the environmental impact of using 2,6-Dineopentylaniline has been a focus of recent research. Efforts have been directed toward developing sustainable synthetic routes that minimize waste and energy consumption. Green chemistry principles have been applied to optimize production processes, ensuring that this compound can be manufactured responsibly while maintaining high quality standards. Such initiatives align with broader industry goals to reduce the ecological footprint of chemical manufacturing.
The future prospects for 2,6-Dineopentylaniline appear promising, driven by ongoing research in both academia and industry. As new applications emerge and synthetic methodologies advance, this compound is expected to play an increasingly significant role in pharmaceuticals and materials science. Collaborative efforts between chemists, biologists, and engineers will be essential to fully realize its potential across diverse fields.
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