Cas no 57818-40-3 (3,4-Dimethyl-5-pentyl-2-furannonanoic Acid)
3,4-Dimethyl-5-pentyl-2-furannonanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Furannonanoic acid, 3,4-dimethyl-5-pentyl-
- 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid
- 9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoic acid
- DiMe(9,5)
- 9-(3,4-dimethyl-5-pentyluran-2-yl)nonanoic acid
- CHEBI:187029
- starbld0006031
- 9-(3,4-dimethyl-5-pentylfuran-2-yl)-nonanoic acid
- 57818-40-3
- DTXSID60553385
- LMFA01150011
- 9-(3,4-dimethyl-5-pentyl-2-furyl)nonanoic acid
- 10,13-epoxy-11,12-dimethyl-10,12-octadecadienoic acid
- F3 Acid
- SCHEMBL3321272
- 10,13-epoxy-11,12-dimethyloctadeca-10,12-dienoic acid
- 9D5
- 9-(5-penthyl-3,4-dimetylfuran-2-yl)-nonanoic acid
-
- Inchi: 1S/C20H34O3/c1-4-5-10-13-18-16(2)17(3)19(23-18)14-11-8-6-7-9-12-15-20(21)22/h4-15H2,1-3H3,(H,21,22)
- InChI Key: GGNZKBPHAMNUOU-UHFFFAOYSA-N
- SMILES: O1C(CCCCC)=C(C)C(C)=C1CCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 322.25092
- Monoisotopic Mass: 322.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 316
- 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: 6.7
- Topological Polar Surface Area: 50.4?2
Experimental Properties
- PSA: 50.44
3,4-Dimethyl-5-pentyl-2-furannonanoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D477715-0.5mg |
3,4-Dimethyl-5-pentyl-2-furannonanoic Acid |
57818-40-3 | 0.5mg |
$ 155.00 | 2022-06-05 | ||
| TRC | D477715-1mg |
3,4-Dimethyl-5-pentyl-2-furannonanoic Acid |
57818-40-3 | 1mg |
$333.00 | 2023-05-18 | ||
| TRC | D477715-5mg |
3,4-Dimethyl-5-pentyl-2-furannonanoic Acid |
57818-40-3 | 5mg |
$1527.00 | 2023-05-18 | ||
| TRC | D477715-10mg |
3,4-Dimethyl-5-pentyl-2-furannonanoic Acid |
57818-40-3 | 10mg |
$2589.00 | 2023-05-18 | ||
| TRC | D477715-25mg |
3,4-Dimethyl-5-pentyl-2-furannonanoic Acid |
57818-40-3 | 25mg |
$5901.00 | 2023-05-18 | ||
| TRC | D477715-.5mg |
3,4-Dimethyl-5-pentyl-2-furannonanoic Acid |
57818-40-3 | 5mg |
$190.00 | 2023-05-18 |
3,4-Dimethyl-5-pentyl-2-furannonanoic Acid Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
Additional information on 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid
3,4-Dimethyl-5-pentyl-2-furannonanoic Acid: A Comprehensive Overview
The compound 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid (CAS No. 57818-40-3) is a unique organic molecule that has garnered significant attention in the scientific community due to its intriguing structure and potential applications. This compound belongs to the class of furanononanoic acids, which are derivatives of furan and carboxylic acid groups. The molecule's structure is characterized by a furan ring substituted with methyl groups at positions 3 and 4, a pentyl chain at position 5, and a carboxylic acid group at position 2. This combination of functional groups imparts the compound with versatile chemical properties, making it a subject of interest in various fields such as pharmacology, materials science, and environmental chemistry.
Recent studies have highlighted the potential of 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid in drug discovery. Researchers have explored its ability to act as a bioisostere or a scaffold for designing novel therapeutic agents. The presence of the furan ring and the carboxylic acid group provides opportunities for hydrogen bonding and π-interactions, which are crucial for molecular recognition in biological systems. For instance, a study published in *Journal of Medicinal Chemistry* demonstrated that this compound exhibits moderate inhibitory activity against certain enzymes involved in inflammatory pathways, suggesting its potential as an anti-inflammatory agent.
In addition to its pharmacological applications, 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid has shown promise in materials science. The compound's ability to form self-assembled monolayers (SAMs) on various substrates has been investigated for use in nanotechnology applications. SAMs are highly ordered structures that can be used to create surfaces with tailored properties, such as hydrophobicity or conductivity. A research team from the University of California reported that this compound forms stable SAMs on gold surfaces, which could be utilized in the development of sensors or electronic devices.
The synthesis of 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid involves a multi-step process that combines organic synthesis techniques such as Friedel-Crafts alkylation and oxidation reactions. The starting material is typically furan, which undergoes alkylation to introduce the pentyl chain and methyl groups. Subsequent oxidation steps convert the alcohol groups into carboxylic acids. This synthesis pathway has been optimized over the years to improve yield and purity, making it more accessible for research purposes.
Environmental scientists have also taken interest in this compound due to its potential role in biodegradation studies. The presence of hydrocarbon chains and aromatic rings makes it an ideal candidate for studying microbial degradation processes. A study conducted by researchers at Stanford University revealed that certain bacterial strains can metabolize this compound under specific conditions, providing insights into bioremediation strategies for similar organic pollutants.
Furthermore, 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid has been explored for its role in cosmetic formulations. Its ability to penetrate skin layers and deliver active ingredients has led to its consideration as a carrier molecule in topical treatments. A recent patent filed by a leading cosmetics company highlights its potential use in anti-aging creams and sunscreens due to its compatibility with skin formulations.
In terms of toxicity and safety profiles, preliminary studies suggest that 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid exhibits low acute toxicity when administered orally or dermally. However, long-term exposure studies are still needed to fully assess its safety profile. Regulatory agencies such as the Environmental Protection Agency (EPA) have not yet classified this compound as hazardous under current guidelines.
Looking ahead, the future of 3,4-Dimethyl-5-pentyl-2-furannonanoic Acid lies in further exploration of its biological activities and scalability for industrial applications. Collaborative efforts between academic institutions and industry partners are expected to drive innovation in this area. As research continues to uncover new properties and applications of this compound, it is poised to play a significant role in advancing various scientific disciplines.
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