2635-84-9 , 4-Nitrophenyl butyrate;
Butyric acid 4-nitrophenyl ester,
Cas:2635-84-9
C10H11NO4 / 209.20
MFCD00047734
对硝基苯基丁酸酯
Butyric acid 4-nitrophenyl ester
4-Nitrophenyl butyrate is a chemical compound widely used in scientific experiments and research. It is a colorless and odorless liquid that belongs to the family of esters. It has various applications in biological investigations, medical research, and industrial processes.
Definition and Background
4-Nitrophenyl butyrate is also known as p-nitrophenyl butyrate or p-nitrophenyl butanoate. It is a clear, yellow to brownish liquid, which is soluble in most organic solvents but insoluble in water. It has a molecular formula of C10H11NO4 and a molecular weight of 209.20 g/mol.
Physical and Chemical Properties
4-Nitrophenyl butyrate is a stable chemical compound with a melting point of 27-30°C and a boiling point of 309-312°C. It has a refractive index of 1.501 and a flashpoint of 155°C. It is sensitive to light and air but stable under normal conditions. 4-nitrophenyl butyrate is readily hydrolyzed by lipases and esterases, enzymes that catalyze the breakdown of esters.
Synthesis and Characterization
4-Nitrophenyl butyrate can be synthesized by reacting p-nitrophenol with butyric anhydride in the presence of a catalyst, such as pyridine. The reaction produces p-nitrophenyl butyrate and acetic acid. The product can be purified by recrystallization or thin-layer chromatography. The purity of the product can be assessed by analytical methods, such as infrared spectroscopy and nuclear magnetic resonance spectroscopy.
Analytical Methods
The purity and structure of 4-nitrophenyl butyrate can be analyzed by various analytical methods, such as gas chromatography-mass spectrometry (GC-MS), liquid chromatography-mass spectrometry (LC-MS), and ultraviolet-visible (UV-Vis) spectroscopy. These methods can provide information about the chemical composition, molecular weight, and concentration of the compound. They are also used to detect impurities and degradation products.
Biological Properties
4-Nitrophenyl butyrate is widely used in biological investigations as a substrate for lipase and esterase activity assays. These enzymes are essential for lipid metabolism and digestion in living organisms. 4-Nitrophenyl butyrate can also be used to study the inhibition and kinetics of these enzymes. Moreover, it can be used as a model substrate for drug discovery and development in the field of cancer research and neurodegenerative diseases.
Toxicity and Safety in Scientific Experiments
The toxicity of 4-nitrophenyl butyrate is low, and it is not considered hazardous in normal laboratory conditions. However, it can be harmful if ingested, inhaled or comes in contact with the skin. It can cause irritation, allergic reactions, and respiratory problems. Therefore, proper handling and disposal procedures should be followed to ensure safety in scientific experiments.
Applications in Scientific Experiments
4-Nitrophenyl butyrate has various applications in scientific experiments, such as:
1. Assays of lipase and esterase activity
2. Screening of lipase and esterase inhibitors and activators
3. Drug discovery and development for cancer research and neurodegenerative diseases
4. Study of lipid metabolism and digestion in living organisms
5. Industrial enzyme production
Current State of Research
There is ongoing research on the use of 4-nitrophenyl butyrate in various fields, such as biotechnology, pharmaceuticals, and food industries. New analytical methods and applications are being developed to improve its performance and accuracy in scientific investigations.
Potential Implications in Various Fields of Research and Industry
4-Nitrophenyl butyrate has potential implications in various fields of research and industry, such as:
1. Drug development and personalized medicine
2. Biotechnology and enzyme production
3. Food industry and quality control
4. Environmental monitoring and bioremediation
5. Medical diagnosis and disease markers
Limitations and Future Directions
Although 4-nitrophenyl butyrate has many advantages and applications, it also has limitations, such as:
1. Limited stability and shelf-life
2. Low solubility in water
3. High cost of synthesis
4. Interference with other enzymes and molecules
Future directions for 4-nitrophenyl butyrate research include:
1. Development of new analytical methods for characterization and quantification
2. Improvement of stability, solubility, and performance in scientific investigations
3. Application to new fields, such as nanotechnology and green chemistry
4. Use in the discovery of new enzyme inhibitors and activators for therapeutic purposes
5. Integration with other tools and techniques, such as molecular docking and computational modeling.
Conclusion
4-Nitrophenyl butyrate is a versatile and widely used chemical compound in scientific experiments and research. Its physical and chemical properties make it a valuable tool for enzyme activity assays, drug discovery, and lipid metabolism studies. However, its limitations and safety concerns require proper handling and disposal procedures. Further research and development are needed to enhance its performance and expand its applications in various fields of research and industry.
CAS Number | 2635-84-9 |
Product Name | 4-Nitrophenyl butyrate |
IUPAC Name | (4-nitrophenyl) butanoate |
Molecular Formula | C10H11NO4 |
Molecular Weight | 209.2 g/mol |
InChI | InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3 |
InChI Key | DVDUMIQZEUTAGK-UHFFFAOYSA-N |
SMILES | CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
Solubility | 1.15e-04 M |
Synonyms | 4-nitrophenyl butyrate, p-nitrophenyl butyrate, p-nitrophenylbutyrate, para-nitrophenyl butyrate |
Canonical SMILES | CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
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