4'-Chloropropiophenone is an organic compound with a unique chemical structure, belonging to aromatic asymmetric ketone compounds. The chemical formula is C9H9ClO, with a molecular weight of 168.62 and a CAS number of 6285-05-8. It is a light yellow to colorless transparent liquid. This solid substance has high purity, typically requiring a purity of over 98% to ensure its stability and effectiveness in various chemical reactions and industrial production. Boiling point varies with pressure. At atmospheric pressure (i.e. 1 atmosphere), its boiling point is approximately 276.6 ° C. However, at lower pressures (such as 1mmHg), its boiling point drops to 95-97 ° C. This characteristic makes it easy to separate and purify in the laboratory through distillation and other methods. It has typical properties of ketone compounds, such as susceptibility to nucleophilic addition reactions, oxidation reactions, etc. These properties make it have broad application prospects in fields such as medicine, pesticides, dyes, etc. For example, it can serve as an important intermediate in the synthesis of certain drugs, providing key raw materials for drug synthesis; At the same time, it can also be used as a raw material for pesticides to prepare efficient, low toxicity, and low residue pesticide products.
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Chemical Formula |
C9H9ClO |
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Exact Mass |
168 |
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Molecular Weight |
169 |
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m/z |
168 (100.0%), 170 (32.0%), 169 (9.7%), 171 (3.1%) |
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Elemental Analysis |
C, 64.11; H, 5.38; Cl, 21.02; O, 9.49 |
4'-Chloropropiophenone (CAS number: 628-50-2), as an important aromatic asymmetric ketone compound, has shown wide application value in the fields of medicine, pesticides, fine chemicals, and new materials due to its unique chemical structure (containing 2-chlorobenzene ring and carbonyl functional groups).
Process optimization and quality control
Top enterprises have upgraded traditional batch processes through continuous flow micro reaction technology, reducing unit energy consumption by 18%, reducing three waste emissions by 25%, and maintaining product purity above 99.5%. Kangyuan Chemical and other companies have passed GMP certification and international audits (such as EU REACH and US FDADMF), becoming stable suppliers to multinational pharmaceutical companies such as Pfizer and Novartis. In 2023, their export volume accounted for 43%.
Electronic chemicals and specialty polymers
In the field of electronic chemicals, it can be used as a modifier for photoresist film-forming resins, enhancing the chemical corrosion resistance of the resin by introducing chlorine atoms. In addition, its derivatives also have potential in the synthesis of special polymers, such as copolymerization with bisphenol A to prepare high temperature resistant and high-strength engineering plastics for use in the aerospace and new energy vehicle fields.
Innovation in daily chemical and food additives
Ester derivatives of 4-chlorophenylacetone are used as perfume fixatives in the daily chemical industry. By mixing with coumarin compounds, they can extend the fragrance retention time of perfume and shampoo. In the food industry, its compliant derivatives (such as 4-chlorophenyl ethyl propionate) can be used as acidity regulators for fruit juice beverages and baked goods, but must strictly comply with GB 2760 "National Food Safety Standard for the Use of Food Additives".
Functional Materials Field: New Building Units for Special Polymers and Optoelectronic Materials
In recent years, with the rapid development of advanced manufacturing, special polymer materials containing aromatic ketone structures have been widely used in aerospace, electronic information and other fields due to their excellent thermal stability, mechanical strength and chemical corrosion resistance. 4 '- chlorophenylacetone has shown great potential for application in the development of new functional polymer materials due to its modifiable properties with dual functional groups.
Polyaryletherketone is a high-performance special engineering plastic that can maintain excellent mechanical properties in high temperature environments above 200 ℃ for a long time. It is widely used in high-end fields such as aerospace and semiconductor manufacturing. A new type of polyaryletherketone material was prepared using 4 '- chlorophenylacetone as a modified monomer. A propyl side chain was introduced on the main chain side of the polymer, greatly improving the processing flowability of the material.
The melting processing temperature of the material was reduced from the traditional 380 ℃ to 320 ℃, and the tensile strength and impact strength of the material were increased by more than 20%. This modified polyaryletherketone material can be directly processed into complex shaped parts through injection molding technology, greatly reducing the processing cost of high-end special engineering plastics. It has been applied in the manufacturing of core structural components for 5G communication equipment.
Synthesis blocks of organic optoelectronic materials
In the field of organic optoelectronic materials, 4 '- chlorophenylacetone can be used to synthesize novel aromatic substituted conjugated ketone optoelectronic materials. These materials, as electron transport layer materials for organic photovoltaic cells, have excellent electron transport performance and hole blocking ability. When applied to organic solar cell devices, can increase the photoelectric conversion efficiency of the devices by more than 2 percentage points, while doubling the long-term outdoor service life of the devices.
In addition, the aryl ketone photoinitiator derived from 4 '- chlorophenylacetone is a new type of UV curing initiator that can efficiently initiate the polymerization reaction of acrylic ester systems under LED UV light irradiation. The initiation efficiency is three times that of traditional acetophenone photoinitiators, and no volatile small molecule residues are generated during the curing process. It is widely used in UV inks for food packaging printing, 3D printing photosensitive resins, and other fields.
Functional Materials for Metal Surface Treatment
4 '- chlorophenylacetone can also be used to synthesize new aromatic ketone metal corrosion inhibitors. Adding a small amount of this type of corrosion inhibitor to the acid solution used for steel pickling and rust removal can form a dense adsorption protective film on the steel surface, greatly reducing the corrosion rate of the acid solution on the steel substrate. The corrosion inhibition efficiency can reach over 98%, and it has been widely used in the metal surface treatment industry.
Substitute
Alternative products in the field of pharmaceutical intermediates
Other phenylacetone derivatives:
- Some phenylpropanone derivatives with similar structures, such as other halogen substituted phenylpropanones, may have similar chemical properties and can be used to replace them in pharmaceutical intermediates.
Biobased or natural products:
- With the development of green chemistry and biotechnology, some bio based or natural products may become substitutes for it for synthesizing bioactive drug molecules.
Alternative products in the field of fine chemical raw materials
Other fine chemicals
In the field of fine chemicals, some fine chemicals with similar functions, such as other aromatic ketone compounds, may be used as substitutes for it in the synthesis of coatings, inks, plastics, rubber and other products.
Environmentally friendly alternatives
In order to meet environmental requirements, some low toxicity, low pollution, and easily degradable chemicals may become substitutes to reduce pollution to the environment.
Alternative products in the field of pesticide intermediates
Other pesticide intermediates:
1.In pesticide synthesis, some pesticide intermediates with similar structures may be able to replace it for synthesizing pesticide products with insecticidal, herbicidal and other activities.
Green pesticides:
2.With the development of green pesticides, some green pesticides with high efficiency, low toxicity, low residue and other characteristics may become substitutes in the field of pesticides.
Alternative products in other fields
Organic synthesis intermediates:
- In organic synthesis, some compounds with similar chemical properties, such as other aromatic compounds or ketone compounds, may serve as alternatives for synthesizing various organic compounds.
New materials:
- With the development of new materials, some new materials with special properties may become substitutes for them in certain specific fields such as electronics, optoelectronics, etc.
Precautions
Safety assessment
When selecting alternatives to it, a safety assessment should be conducted first to ensure the safety of the alternative to humans and the environment.
Performance testing
During the application of substitutes, performance testing should be conducted to ensure that they meet the required product performance requirements.
Cost benefit analysis
When selecting alternatives, a cost-benefit analysis should also be conducted to ensure that the cost-effectiveness of the alternative is better than that of 4'-Chloropropiophenone.
Storage
Storage temperature: It should be stored under refrigerated conditions, specifically between 0-10 ° C. This helps maintain the stability of the compound and prolong its shelf life.
Physical state: At 20 ° C, the substance is in solid form. Therefore, during storage, it should be ensured that it remains in a solid state to avoid melting or deterioration caused by high temperatures.
Avoid light exposure: Although the impact of light on it is not explicitly mentioned, sensitive chemicals should generally avoid direct light exposure to prevent photolysis or photochemical reactions.
Sealed storage: To prevent moisture absorption, oxidation, or reaction with other components in the air, it should be sealed and stored.
Keep away from sources of fire and heat: As a safety measure for storing general chemicals, it is recommended to keep away from sources of fire and heat to reduce the risk of fire.
Use explosion-proof refrigerator: If refrigeration is required, an explosion-proof refrigerator should be used to prevent possible chemical reactions from causing fires or explosions.
Comply with GHS classification and labeling: According to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it has multiple hazards, including ingestion, skin irritation, potential skin allergic reactions, severe eye irritation, and potential respiratory irritation. Therefore, corresponding GHS classification and labeling requirements should be followed during storage.
How to detect whether 4 '- Chlorotropiophenone has deteriorated?
Appearance And Physical Property Inspection: Check if its color and physical condition meet the standards. According to the provided information, the pure substance is a solid at 20 ° C and should be a white to almost white powder or crystal. If the sample changes color or exhibits abnormal morphology, it may be a sign of deterioration.
Melting Point Determination: By measuring the melting point of the sample, its purity and quality can be determined. Its melting point is 34.0 to 37.0 ° C. If the measured melting point does not match this range, it may indicate that the sample has deteriorated or been doped.
Gas Chromatography (GC) Analysis: Use gas chromatography to determine its purity, and a purity greater than 98.0% is considered qualified. GC is an effective analytical method that can detect impurities and degradation products in samples.
Nuclear Magnetic Resonance (NMR) Analysis: Through 1H and 13C NMR analysis, its chemical structure and purity can be determined. The chemical shift in NMR spectra can be compared with known pure product data to determine whether the sample has deteriorated.
Infrared Spectroscopy (IR) Analysis: Infrared spectroscopy can be used to detect its characteristic functional groups, thereby determining whether its structure has changed, which is also a method of judging deterioration.
Thin Layer Chromatography (TLC): TLC is a rapid screening method that can be used to preliminarily check its purity and deterioration. By comparing with the TLC spectra of known pure products, abnormal spots can be found in the sample.
High Performance Liquid Chromatography (HPLC): HPLC can be used for precise determination of impurities and degradation 4'-chloropropiophenone in it, which is very effective for quality control and deterioration detection.
Frequently Asked Questions
What is 4 Chloropropiophenone used for?
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4'-Chloropropiophenone is widely utilized in research focused on: Pharmaceutical Development: This compound serves as an intermediate in the synthesis of various pharmaceuticals, particularly in the development of analgesics and anti-inflammatory drugs.
What is 4 Chlorobenzophenone used for?
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4-Chlorobenzophenone is a versatile organic compound widely utilized in various industrial applications due to its unique properties. This compound, characterized by its aromatic structure, serves as an essential intermediate in the synthesis of various pharmaceuticals, agrochemicals, and UV-absorbing agents.
How do you synthesize 4 Chloropropiophenone?
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The synthesis route is to synthesize 4'-Chloropropiophenone with p-chlorobenzenesulfonyl chloride and chloroacetone as raw materials. Chlorobenzene (0.1 mol), with stirring,Dichloromethane (100 mL) and anhydrous aluminum trichloride (0.12 mol)Add to the reaction vessel.
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