Cas no 7116-34-9 (Ethyl 3-(4-nitrophenyl)propanoate)
Ethyl 3-(4-nitrophenyl)propanoate Chemical and Physical Properties
Names and Identifiers
-
- 3-(4-nitro-phenyl)-propionic acid ethyl ester
- ETHYL-3-(4-NITRO PHENYL) PROPIONATE
- 3-(4-NITRO-PHENYL)-PROPANOIC ACID ETHYL ESTER
- 3-(4-nitrophenyl)-propionic acid ethyl ester
- 3-(4-Nitro-phenyl)-propionsaeure-aethylester
- 3-< 4-Nitro-phenyl> -propionsaeure-ethylester
- Aethyl-p-nitrohydrocinnamat
- AG-G-78518
- AGN-PC-00BE70
- Benzenepropanoic acid, 4-nitro-, ethyl ester
- CTK5D3595
- Ethyl 3-(4-nitrophenyl)propanoate
- Ethyl p-nitrohydrocinnamate
- SCHEMBL13991528
- Athyl-p-nitro-I(2)-phenylpropionat
- MFCD00126838
- AMY23649
- ethyl3-(4-nitrophenyl)propanoate
- AKOS009487974
- DTXSID90468418
- AS-19207
- 7116-34-9
- CS-0322581
-
- MDL: MFCD00126838
- Inchi: 1S/C11H13NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-4,6-7H,2,5,8H2,1H3
- InChI Key: QGKUTNMKCRVGRE-UHFFFAOYSA-N
- SMILES: O(CC)C(CCC1C=CC(=CC=1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 223.08449
- Monoisotopic Mass: 223.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 241
- 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: 2.6
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- Density: 1.193±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.21 g/l) (25 o C),
- PSA: 69.44
Ethyl 3-(4-nitrophenyl)propanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E940753-10mg |
Ethyl 3-(4-nitrophenyl)propanoate |
7116-34-9 | 10mg |
$ 50.00 | 2022-06-02 | ||
| TRC | E940753-50mg |
Ethyl 3-(4-nitrophenyl)propanoate |
7116-34-9 | 50mg |
$ 95.00 | 2022-06-02 | ||
| TRC | E940753-100mg |
Ethyl 3-(4-nitrophenyl)propanoate |
7116-34-9 | 100mg |
$ 160.00 | 2022-06-02 | ||
| abcr | AB509335-250 mg |
Ethyl 3-(4-nitrophenyl)propanoate |
7116-34-9 | 250MG |
€202.80 | 2023-04-18 | ||
| abcr | AB509335-1 g |
Ethyl 3-(4-nitrophenyl)propanoate |
7116-34-9 | 1g |
€541.30 | 2023-04-18 | ||
| abcr | AB509335-250mg |
Ethyl 3-(4-nitrophenyl)propanoate; . |
7116-34-9 | 250mg |
€160.30 | 2025-04-16 | ||
| abcr | AB509335-1g |
Ethyl 3-(4-nitrophenyl)propanoate; . |
7116-34-9 | 1g |
€402.10 | 2025-04-16 | ||
| 1PlusChem | 1P005XMA-25mg |
3-(4-NITRO-PHENYL)-PROPANOIC ACID ETHYL ESTER |
7116-34-9 | 98%(GC) | 25mg |
$31.00 | 2023-12-16 | |
| 1PlusChem | 1P005XMA-250mg |
3-(4-NITRO-PHENYL)-PROPANOIC ACID ETHYL ESTER |
7116-34-9 | 98% (GC) | 250mg |
$79.00 | 2025-02-21 | |
| 1PlusChem | 1P005XMA-1g |
3-(4-NITRO-PHENYL)-PROPANOIC ACID ETHYL ESTER |
7116-34-9 | 98% (GC) | 1g |
$244.00 | 2025-02-21 |
Ethyl 3-(4-nitrophenyl)propanoate Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
Additional information on Ethyl 3-(4-nitrophenyl)propanoate
Ethyl 3-(4-nitrophenyl)propanoate (CAS No. 7116-34-9): A Comprehensive Overview in Modern Chemical Research
Ethyl 3-(4-nitrophenyl)propanoate, identified by its CAS number 7116-34-9, is a significant compound in the realm of organic chemistry and pharmaceutical research. This ester derivative features a unique structural framework that has garnered considerable attention due to its potential applications in various scientific domains. The compound's molecular structure, comprising an ethyl group attached to a propanoate moiety linked to a 4-nitrophenyl ring, presents an intriguing chemical profile that warrants detailed exploration.
The Ethyl 3-(4-nitrophenyl)propanoate molecule exhibits distinct chemical properties that make it a valuable candidate for synthetic chemistry and material science. The presence of the nitro group in the phenyl ring influences the electronic distribution and reactivity of the molecule, making it a versatile intermediate in organic synthesis. Recent studies have highlighted its role in the development of novel polymers and specialty chemicals, where its ability to undergo selective reactions under controlled conditions is particularly advantageous.
In the context of pharmaceutical research, Ethyl 3-(4-nitrophenyl)propanoate has been investigated for its potential biological activities. The nitrophenyl moiety is known to exhibit various pharmacological effects, including anti-inflammatory and analgesic properties. Current research endeavors are focused on modulating the reactivity of this compound to develop more effective therapeutic agents. The ester functionality, on the other hand, provides a site for further derivatization, allowing chemists to tailor the molecule for specific biological targets.
One of the most compelling aspects of Ethyl 3-(4-nitrophenyl)propanoate is its utility as a building block in drug discovery. The compound's structural features enable it to interact with biological targets in multiple ways, making it a promising candidate for scaffold hopping—a strategy used to identify new drug candidates with improved pharmacokinetic profiles. Recent advances in computational chemistry have facilitated the design of derivatives with enhanced binding affinity and reduced toxicity, further solidifying the compound's importance in medicinal chemistry.
The synthesis of Ethyl 3-(4-nitrophenyl)propanoate involves well-established organic reactions, including esterification and nitration processes. These synthetic pathways have been optimized to ensure high yields and purity, making the compound readily available for research purposes. The reaction conditions can be fine-tuned to produce enantiomerically pure forms of the compound, which is crucial for applications in stereochemistry and asymmetric synthesis.
Applications beyond pharmaceuticals also demonstrate the versatility of Ethyl 3-(4-nitrophenyl)propanoate. In materials science, for instance, this compound has been explored as a monomer or crosslinking agent in polymer formulations. Its ability to form stable esters and undergoes controlled polymerization makes it suitable for creating advanced materials with tailored mechanical and thermal properties. Such materials are finding applications in industries ranging from aerospace to electronics.
The environmental impact of Ethyl 3-(4-nitrophenyl)propanoate is another area of growing interest. As synthetic chemistry continues to evolve, there is an increasing emphasis on developing processes that minimize waste and reduce environmental footprint. Researchers are investigating greener synthetic routes for this compound, leveraging biocatalysis and solvent-free reactions to enhance sustainability. These efforts align with global initiatives aimed at promoting green chemistry principles across all stages of chemical production.
Future directions in the study of Ethyl 3-(4-nitrophenyl)propanoate are likely to focus on expanding its applications in drug discovery and materials science. Advances in biotechnology and nanotechnology may open new avenues for utilizing this compound as a functional component in drug delivery systems or smart materials. Additionally, interdisciplinary collaborations between chemists, biologists, and engineers will be essential in unlocking the full potential of this versatile molecule.
In conclusion, Ethyl 3-(4-nitrophenyl)propanoate (CAS No. 7116-34-9) represents a fascinating subject of study with broad implications across multiple scientific disciplines. Its unique structural features and reactivity make it a valuable tool for synthetic chemists and researchers working on cutting-edge applications in pharmaceuticals and materials science. As our understanding of its properties continues to grow, so too will its role in advancing scientific knowledge and technological innovation.
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