Cas no 32446-14-3 (2,5-Dimethyl-N-phenylaniline)
2,5-Dimethyl-N-phenylaniline Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Dimethyl-N-phenylaniline
- 1-Anilino-2,5-dimethyl-benzol
- 2,5-dimethyldiphenylamine
- 2,5-dimethylphenyl(phenyl)amine
- 2-anilino-p-xylene
- AK131621
- Benzenamine, 2,5-dimethyl-N-phenyl-
- CTK1B9224
- KB-18049
- N-phenyl-2,5-dimethylaniline
- N-phenyl-2,5-xylidine
- RL03162
- SureCN8691617
- doi:10.14272/QCIPGRGZZUTJAG-UHFFFAOYSA-N.1
- SCHEMBL8691617
- 10.14272/QCIPGRGZZUTJAG-UHFFFAOYSA-N.1
- DTXSID80447651
- 32446-14-3
- DB-302480
- J-507370
-
- Inchi: 1S/C14H15N/c1-11-8-9-12(2)14(10-11)15-13-6-4-3-5-7-13/h3-10,15H,1-2H3
- InChI Key: QCIPGRGZZUTJAG-UHFFFAOYSA-N
- SMILES: N(C1C=CC=CC=1)C1C=C(C)C=CC=1C
Computed Properties
- Exact Mass: 197.12055
- Monoisotopic Mass: 197.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 184
- 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: 4.2
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
2,5-Dimethyl-N-phenylaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019116898-1g |
2,5-Dimethyl-N-phenylaniline |
32446-14-3 | 95% | 1g |
$325.36 | 2023-09-02 | |
| Cooke Chemical | BD3346148-1g |
2,5-Dimethyl-N-phenylaniline |
32446-14-3 | 95+% | 1g |
RMB 1859.20 | 2025-02-20 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1733262-1g |
2,5-Dimethyl-n-phenylaniline |
32446-14-3 | 98% | 1g |
¥2763.00 | 2024-08-02 | |
| Crysdot LLC | CD12083696-1g |
2,5-Dimethyl-N-phenylaniline |
32446-14-3 | 95+% | 1g |
$407 | 2024-07-24 |
2,5-Dimethyl-N-phenylaniline Related Literature
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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
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Additional information on 2,5-Dimethyl-N-phenylaniline
Introduction to 2,5-Dimethyl-N-phenylaniline (CAS No. 32446-14-3)
2,5-Dimethyl-N-phenylaniline, identified by the Chemical Abstracts Service registry number 32446-14-3, is a significant organic compound that has garnered attention in the field of pharmaceutical chemistry and materials science. This aromatic amine derivative exhibits a unique structural framework characterized by a phenyl ring substituted with two methyl groups at the 2- and 5-positions, further functionalized by an aniline moiety at the nitrogen atom. The compound's distinct chemical profile makes it a valuable intermediate in synthetic chemistry, particularly in the development of novel therapeutic agents and advanced materials.
The molecular structure of 2,5-Dimethyl-N-phenylaniline (CAS No. 32446-14-3) consists of a benzene core with two methyl groups attached at the 2 and 5 positions, enhancing its lipophilicity and electronic properties. The presence of an aniline group at the nitrogen position introduces basicity and reactivity, making it a versatile building block for further chemical modifications. This structural arrangement imparts favorable solubility characteristics in organic solvents, facilitating its use in various synthetic protocols.
In recent years, 2,5-Dimethyl-N-phenylaniline (CAS No. 32446-14-3) has been extensively studied for its potential applications in medicinal chemistry. Researchers have explored its role as a precursor in the synthesis of biologically active molecules, including kinase inhibitors and antimicrobial agents. The compound's ability to act as a scaffold for drug design stems from its ability to interact with biological targets through hydrogen bonding and hydrophobic interactions. Furthermore, its aromatic system provides opportunities for further derivatization, enabling the creation of structurally diverse compounds with tailored pharmacological properties.
One of the most compelling aspects of 2,5-Dimethyl-N-phenylaniline (CAS No. 32446-14-3) is its utility in the development of advanced materials. The compound's electronic properties make it suitable for applications in organic electronics, such as organic light-emitting diodes (OLEDs) and photovoltaic cells. The methyl substituents at the 2 and 5 positions influence the compound's electronic distribution, affecting its charge transport capabilities. This has led to investigations into its use as an electron donor or acceptor in conjugated polymers, which are essential components in next-generation electronic devices.
Recent advancements in computational chemistry have further highlighted the importance of 2,5-Dimethyl-N-phenylaniline (CAS No. 32446-14-3) as a key intermediate. Molecular modeling studies have demonstrated that this compound can be incorporated into complex molecular architectures with high precision, offering chemists a reliable tool for constructing intricate pharmacophores. These studies have also revealed insights into its interactions with biological targets at the atomic level, providing a foundation for rational drug design.
The synthesis of 2,5-Dimethyl-N-phenylaniline (CAS No. 32446-14-3) typically involves multi-step organic transformations starting from readily available precursors such as aniline derivatives and alkylating agents. The process often requires careful optimization to achieve high yields and purity levels necessary for pharmaceutical applications. Advances in catalytic methods have enabled more efficient synthetic routes, reducing the environmental impact while maintaining high product quality.
In conclusion, 2,5-Dimethyl-N-phenylaniline (CAS No. 32446-14-3) represents a fascinating compound with broad utility across multiple scientific disciplines. Its unique structural features make it an invaluable asset in pharmaceutical research and material science applications. As our understanding of its chemical properties continues to evolve, so too will its role in advancing innovative technologies and therapeutic solutions.
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