Cas no 13573-51-8 (4-(5-butylnonan-5-yl)pyridine)
4-(5-butylnonan-5-yl)pyridine Chemical and Physical Properties
Names and Identifiers
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- 4-(5-butylnonan-5-yl)pyridine
- 4-(1,1-dibutylpentyl)pyridine
- 4-(1,1-dibutyl)pentylpyridine
- CTK6D5675
- 4-(1,1-Dibutyl-pentyl)-pyridine
- DTXSID30654631
- 13573-51-8
- DB-204874
- 5-(4-Pyridyl)-5-butylnonane
- J-006766
- AKOS024388288
- SCHEMBL12497479
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- Inchi： 1S/C18H31N/c1-4-7-12-18(13-8-5-2,14-9-6-3)17-10-15-19-16-11-17/h10-11,15-16H,4-9,12-14H2,1-3H3
- InChI Key： UHZBGMXRTZWCPC-UHFFFAOYSA-N
- SMILES： N1C=CC(=CC=1)C(CCCC)(CCCC)CCCC
Computed Properties
- Exact Mass: 261.24583
- Monoisotopic Mass: 261.245649993g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- 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: 7.4
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89
4-(5-butylnonan-5-yl)pyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| 1PlusChem | 1P009ECT-100mg |
4-(1,1-Dibutyl-pentyl)-pyridine |
13573-51-8 | 98% | 100mg |
$203.00 | 2025-02-24 | |
| 1PlusChem | 1P009ECT-1g |
4-(1,1-Dibutyl-pentyl)-pyridine |
13573-51-8 | 98% | 1g |
$1340.00 | 2025-02-24 | |
| A2B Chem LLC | AE37709-100mg |
4-(1,1-DIBUTYL-PENTYL)-PYRIDINE |
13573-51-8 | 98% | 100mg |
$195.00 | 2024-04-20 | |
| A2B Chem LLC | AE37709-1g |
4-(1,1-DIBUTYL-PENTYL)-PYRIDINE |
13573-51-8 | 98% | 1g |
$1290.00 | 2024-04-20 |
4-(5-butylnonan-5-yl)pyridine Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
Additional information on 4-(5-butylnonan-5-yl)pyridine
Comprehensive Overview of 4-(5-butylnonan-5-yl)pyridine (CAS No. 13573-51-8)
4-(5-butylnonan-5-yl)pyridine, also known by its CAS number 13573-51-8, is a unique compound that has garnered significant attention in the fields of organic chemistry and medicinal chemistry. This compound is characterized by its pyridine core, which is substituted with a 5-butylnonan-5-yl group, making it a valuable candidate for various applications, including pharmaceutical research and materials science.
The molecular structure of 4-(5-butylnonan-5-yl)pyridine is noteworthy for its combination of aromatic and aliphatic moieties. The pyridine ring, a six-membered heterocyclic aromatic compound, provides the molecule with unique electronic properties and reactivity. The 5-butylnonan-5-yl substituent, on the other hand, introduces a long aliphatic chain that can influence the compound's solubility, lipophilicity, and biological activity.
In recent years, the study of 4-(5-butylnonan-5-yl)pyridine has been enriched by advancements in computational chemistry and spectroscopic techniques. High-resolution nuclear magnetic resonance (NMR) spectroscopy has been instrumental in elucidating the detailed structure and dynamics of this compound. Additionally, density functional theory (DFT) calculations have provided insights into its electronic structure and potential reactivity patterns.
The biological activity of 4-(5-butylnonan-5-yl)pyridine has been a focal point of research in medicinal chemistry. Studies have shown that this compound exhibits promising pharmacological properties, particularly in the context of central nervous system (CNS) disorders. For instance, it has been reported to have potential as a ligand for specific receptors involved in neurodegenerative diseases such as Alzheimer's and Parkinson's disease.
In the realm of drug discovery, 4-(5-butylnonan-5-yl)pyridine has been evaluated for its ability to modulate ion channels and receptors. Its lipophilic nature makes it an attractive candidate for crossing the blood-brain barrier (BBB), which is crucial for drugs targeting CNS disorders. Preclinical studies have demonstrated that this compound can effectively penetrate the BBB and exert its therapeutic effects.
Beyond its medicinal applications, 4-(5-butylnonan-5-yl)pyridine has also found utility in materials science. The presence of the long aliphatic chain can be leveraged to design functional materials with tailored properties. For example, it can be incorporated into polymers to enhance their mechanical strength and thermal stability. Additionally, the pyridine moiety can serve as a coordination site for metal ions, making it useful in the development of metallopolymers and other advanced materials.
The synthesis of 4-(5-butylnonan-5-yl)pyridine typically involves multi-step processes that require careful control of reaction conditions to ensure high yields and purity. Common synthetic routes include the use of Grignard reagents for alkylations followed by cyclization reactions to form the pyridine ring. Recent advancements in catalytic methods have further optimized these synthetic pathways, making them more efficient and environmentally friendly.
In conclusion, 4-(5-butylnonan-5-yl)pyridine (CAS No. 13573-51-8) is a versatile compound with significant potential in both pharmaceutical and materials science applications. Its unique molecular structure endows it with a range of desirable properties that make it an attractive target for further research and development. As ongoing studies continue to uncover new insights into its behavior and applications, this compound is poised to play an increasingly important role in various scientific disciplines.
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