Cas no 7116-34-9 (Ethyl 3-(4-nitrophenyl)propanoate)

Ethyl 3-(4-nitrophenyl)propanoate is an organic ester compound featuring a nitro-substituted phenyl group, making it a valuable intermediate in synthetic chemistry. Its structure combines an ethyl ester moiety with a 4-nitrophenylpropanoate backbone, offering reactivity suitable for further functionalization. The nitro group enhances electrophilic character, facilitating applications in coupling reactions, pharmaceutical synthesis, and material science. This compound exhibits stability under standard conditions and is soluble in common organic solvents, ensuring ease of handling in laboratory settings. Its well-defined molecular properties make it a reliable precursor for producing derivatives with potential biological or industrial relevance. Typical uses include research-scale organic transformations and fine chemical development.
Ethyl 3-(4-nitrophenyl)propanoate structure
7116-34-9 structure
Product Name:Ethyl 3-(4-nitrophenyl)propanoate
CAS No:7116-34-9
MF:C11H13NO4
MW:223.225223302841
MDL:MFCD00126838
CID:976164
PubChem ID:11550335
Update Time:2025-05-25

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

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.

Recommended suppliers
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd