Cas no 105957-88-8 (4-Benzyl-2-nitroaniline)
4-Benzyl-2-nitroaniline Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 2-nitro-4-(phenylmethyl)-
- 4-Benzyl-2-nitroaniline
- 4-benzyl-2-nitro-aniline
- 105957-88-8
- HIESYFWWUDRAPU-UHFFFAOYSA-N
- SCHEMBL1601620
- 4-Benzyl-2-nitrobenzenamine
-
- Inchi: 1S/C13H12N2O2/c14-12-7-6-11(9-13(12)15(16)17)8-10-4-2-1-3-5-10/h1-7,9H,8,14H2
- InChI Key: HIESYFWWUDRAPU-UHFFFAOYSA-N
- SMILES: [O-][N+](C1=C(C=CC(=C1)CC1C=CC=CC=1)N)=O
Computed Properties
- Exact Mass: 228.08996
- Monoisotopic Mass: 228.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 259
- 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: 3.5
- Topological Polar Surface Area: 71.8?2
Experimental Properties
- PSA: 69.16
4-Benzyl-2-nitroaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B275615-1000mg |
4-Benzyl-2-nitroaniline |
105957-88-8 | 1g |
$ 1028.00 | 2023-04-18 | ||
| TRC | B275615-100mg |
4-Benzyl-2-nitroaniline |
105957-88-8 | 100mg |
$ 133.00 | 2023-04-18 | ||
| TRC | B275615-250mg |
4-Benzyl-2-nitroaniline |
105957-88-8 | 250mg |
$ 276.00 | 2023-04-18 | ||
| TRC | B275615-500mg |
4-Benzyl-2-nitroaniline |
105957-88-8 | 500mg |
$ 529.00 | 2023-04-18 | ||
| TRC | B275615-1g |
4-Benzyl-2-nitroaniline |
105957-88-8 | 1g |
$ 850.00 | 2022-06-07 | ||
| TRC | B275615-2.5g |
4-Benzyl-2-nitroaniline |
105957-88-8 | 2.5g |
$ 2193.00 | 2023-04-18 |
4-Benzyl-2-nitroaniline Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
Additional information on 4-Benzyl-2-nitroaniline
4-Benzyl-2-nitroaniline (CAS No 105957-88-8): A Comprehensive Overview
4-Benzyl-2-nitroaniline, also known by its CAS registry number CAS No 105957-88-8, is a significant compound in the field of organic chemistry, particularly within the realm of aromatic amines and nitro compounds. This compound has garnered attention due to its unique chemical properties and potential applications in various industries, including pharmaceuticals, agrochemicals, and advanced materials. The structure of 4-Benzyl-2-nitroaniline consists of a benzene ring substituted with a nitro group at the 2-position and a benzyl group at the 4-position, making it a versatile molecule for further functionalization and exploration.
The synthesis of 4-Benzyl-2-nitroaniline typically involves multi-step processes that leverage modern synthetic methodologies. Recent advancements in catalytic systems and green chemistry have enabled more efficient routes to this compound, reducing environmental impact while maintaining high yields. For instance, researchers have explored the use of transition metal catalysts to facilitate coupling reactions, which are pivotal in constructing the benzyl moiety. These methods not only enhance the scalability of production but also align with current trends toward sustainable chemical manufacturing.
In terms of applications, 4-Benzyl-2-nitroaniline has shown promise in several areas. In the pharmaceutical sector, its ability to act as a precursor for bioactive molecules has been extensively studied. Recent studies have highlighted its role in the development of potential anti-cancer agents, where the nitro group can be converted into an amine or other functional groups to modulate biological activity. Additionally, its electronic properties make it a candidate for use in organic electronics, such as in the fabrication of conductive polymers or light-emitting diodes (LEDs). The benzyl group contributes to solubility and stability, which are critical factors in these applications.
The chemical reactivity of 4-Benzyl-2-nitroaniline is another area of active research. The nitro group is known for its strong electron-withdrawing effect, which influences the compound's redox behavior and reactivity toward nucleophilic and electrophilic attacks. Recent investigations have focused on how these properties can be harnessed for selective transformations, such as nucleophilic aromatic substitution or radical-mediated reactions. These studies are shedding light on novel pathways for synthesizing complex molecules with tailored functionalities.
In conclusion, 4-Benzyl-2-nitroaniline (CAS No 105957-88-8) stands out as a valuable compound with diverse applications and ongoing research potential. Its unique structure and reactivity continue to inspire innovative approaches across multiple disciplines, underscoring its importance in contemporary chemical research.
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