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2-(2,4-dichloro-5-fluorobenzoyl)-3-cyclopropylaminoacrylic Acid, Methyl Ester


Properties
Product Name 2-(2,4-Dichloro-5-fluorobenzoyl)-3-cyclopropylaminoacrylic acid, methyl ester
Cas Number 123456-78-9
Formula C14H11Cl2FNO3
Molar Mass 348.15 g/mol
Property 1 Melting point: 150-152°C
Property 2 Boiling point: 455.7°C at 760 mmHg
Property 3 Density: 1.45 g/cm3
Property 4 Solubility: Soluble in organic solvents
Property 5 Appearance: Off-white solid
Property 6 Purity: ≥ 98%
Property 7 Flash point: 230.3°C
Property 8 Refractive index: 1.58
Property 9 Storage conditions: Store in a cool, dry place
Property 10 Stability: Stable under normal conditions
FAQ

What is the chemical structure of 2-(2,4-DICHLORO-5-FLUOROBENZOYL)-3-CYCLOPROPYLAMINOACRYLIC ACID, METHYL ESTER?

The chemical structure of 2-(2,4 - DICHLORO - 5 - FLUOROBENZOYL)-3 - CYCLOPROPYLAMINOACRYLIC ACID, METHYL ESTER can be analyzed as follows.
Let's break it down by parts.Let's break this down into parts. First, we have the 2,4 - dichloro - 5 - fluorobenzoyl group.We start with the 2,4-dichloro-5-fluorobenzoyl groups. A benzoyl group has a benzene ring attached to a carbonyl group (C=O).A benzoyl is a group that has a benzene group attached to a group of carbonyl (C=O). In this case, the benzene ring has chlorine atoms at the 2 and 4 positions and a fluorine atom at the 5 position.In this case, benzene has chlorine atoms in the 2 and 4 position and a fluorine at the 5 place.

Next, we have the 3 - cyclopropylamino part.The 3 - cyclopropylamino is next. A cyclopropyl group is a three - membered cycloalkane ring.A cyclopropyl ring is a three-membered cycloalkane group. An amino group (NH2) is attached to this cyclopropyl ring, and this whole cyclopropylamino group is attached to the third carbon of the acrylic acid part.This cyclopropyl group is attached with an amino group (NH2), and the whole cyclopropylamino is attached to the third Carbon of the acrylic acid.

The acrylic acid moiety has a carbon - carbon double bond (C=C) adjacent to a carboxylic acid group (COOH).The acrylic acid moiety is characterized by a double carbon-carbon bond (C=C), which is adjacent to the carboxylic acid group. But in this compound, it is in the form of a methyl ester, which means the hydrogen of the carboxylic acid group is replaced by a methyl group (CH3).In this compound, the carboxylic group is replaced with a methyl group, meaning the hydrogen is no longer present.

Overall, starting from the left, we have the 2,4 - dichloro - 5 - fluorobenzoyl group attached to the second carbon of the acrylic acid - like structure.The 2,4 – dichloro – 5 – fluorobenzoyl groups are attached to the second carbon in the structure that looks like acrylic acid. The third carbon of this acrylic acid - like structure has the cyclopropylamino group attached.The cyclopropylamino is attached to the third carbon of this structure that looks like acrylic acid. And the carboxylic acid end of the acrylic acid is in the form of a methyl ester.The carboxylic acid of the acrylic acid takes the form of a methy ester.

The structure can be thought of as having the benzene - based benzoyl part providing a relatively rigid and halogen - substituted aromatic region.The halogen-substituted aromatic region is provided by the benzene-based benzoyl portion. The cyclopropylamino group adds a small, strained ring structure along with a basic nitrogen atom due to the amino group.The cyclopropylamino adds a small ring structure with a basic Nitrogen atom because of the amino group. The double bond in the acrylic acid part can potentially participate in addition reactions, and the methyl ester group at the end gives it certain solubility and reactivity characteristics different from the free carboxylic acid form.The double bond of the acrylic acid can be used in addition reactions. The methyl ester group on the end provides a different solubility and reactivity than the free carboxylic acids. This kind of complex structure with multiple functional groups can lead to a variety of chemical and biological properties, which might be of interest in areas such as drug development or organic synthesis research.This type of complex structure with many functional groups can have a variety chemical and biological properties that may be of interest to areas such as drug research or organic synthesis.

What are the applications of 2-(2,4-DICHLORO-5-FLUOROBENZOYL)-3-CYCLOPROPYLAMINOACRYLIC ACID, METHYL ESTER?

2 - (2,4 - DICHLORO - 5 - FLUOROBENZOYL) - 3 - CYCLOPROPYLAMINOACRYLIC ACID, METHYL ESTER likely has applications in the field of agrochemicals and pharmaceuticals.
In agrochemicals, it could potentially serve as an active ingredient in pesticides or herbicides.It could be used as an active ingredient for pesticides and herbicides in agrochemicals. The presence of specific chemical groups like the dichloro - fluorobenzoyl moiety and the cyclopropylamino - acrylic acid methyl ester part might endow it with properties that target pests or unwanted plant growth.It could be a pesticide or herbicide due to the presence of certain chemical groups such as the dichloro-fluorobenzoyl moiety, and the cyclopropylamino-acrylic acid methyl ester part. The halogen atoms (chlorine and fluorine) in the benzoyl group can enhance its lipophilicity, allowing it to penetrate the lipid - based membranes of target organisms more effectively.The halogen (fluorine and chlorine) atoms in the benzoyl groups can increase its lipophilicity. This allows it to penetrate lipid-based membranes more effectively. This could disrupt normal physiological functions of pests such as insects or plant - pathogenic fungi.This could disrupt the normal physiological functions of pests like insects or plant-pathogenic fungi. For example, it might interfere with their respiratory or metabolic processes, leading to their death.It could, for example, interfere with their metabolic or respiratory processes, resulting in their death. In the case of herbicidal applications, it could disrupt key biochemical pathways in plants, like photosynthesis or amino - acid synthesis, thus controlling weed growth and improving crop yields.Herbicides can disrupt biochemical pathways, such as photosynthesis and amino-acid synthesis in plants. This will reduce weed growth, and improve crop yields.

Regarding pharmaceuticals, the compound's unique structure could be exploited for drug development.The unique structure of the compound could be used to develop drugs. The cyclopropylamino group may confer specific binding properties to certain biological receptors in the human body.The cyclopropylamino groups may have specific binding properties for certain biological receptors within the human body. It could potentially act as a ligand for receptors involved in disease - related signaling pathways.It could act as a receptor ligand in disease-related signaling pathways. For instance, if there are receptors associated with inflammation or certain types of cancer that have a specific binding pocket compatible with this compound's structure, it could be developed into a drug to modulate the associated biological processes.If there are receptors that are associated with inflammation or cancer and have a specific pocket compatible with the compound's structure then it could be developed as a drug in order to modulate these biological processes. The carboxylic acid methyl ester group can be modified further during drug design to improve the compound's pharmacokinetic properties, such as solubility, absorption, and distribution in the body.The carboxylic methyl ester group may be further modified during drug design in order to improve the compound’s pharmacokinetic properties such as its solubility, distribution, and absorption. Additionally, the presence of the benzoyl group with its halogen substituents might contribute to the compound's ability to interact with proteins in the body in a way that leads to a therapeutic effect, perhaps by inhibiting enzymes involved in disease - causing processes.The presence of the benzoyl groups with their halogen substitutes may also contribute to the compound’s ability to interact and produce a therapeutic effect by inhibiting enzymes that cause disease. Overall, this compound holds promise in both agrochemical and pharmaceutical research for developing new and effective products.This compound is promising for both agrochemicals and pharmaceutical research.

What are the advantages of 2-(2,4-DICHLORO-5-FLUOROBENZOYL)-3-CYCLOPROPYLAMINOACRYLIC ACID, METHYL ESTER?

2 - (2,4 - Dichloro - 5 - fluorobenzoyl) - 3 - cyclopropylaminoacrylic acid, methyl ester likely has several potential advantages.
In the realm of agricultural applications, it may act as an effective herbicide.It may be used as an herbicide in agricultural applications. The presence of the dichloro - fluorobenzoyl moiety can potentially endow it with the ability to disrupt specific biochemical processes in target weeds.The dichloro-fluorobenzoyl moiety may be able to disrupt biochemical processes of target weeds. The chlorine and fluorine atoms are known for their electronegativity, which can influence the compound's reactivity and binding affinity to key enzymes or receptors in plant cells.The chlorine and fluorine are known for their electronegativity. This can influence the compound’s reactivity, and binding affinity to enzymes or receptors within plant cells. For example, it might interfere with photosynthesis - related proteins in weeds, thereby inhibiting their growth and survival, thus providing a means to control unwanted plant growth and enhance crop yields.It could, for example, interfere with photosynthesis-related proteins in weeds. This would inhibit their growth and survival.

Regarding its use in pharmaceutical research, the cyclopropylamino group could confer unique pharmacological properties.The cyclopropylamino could have unique pharmacological characteristics. Cyclopropyl groups are known to enhance lipophilicity, which can improve the compound's ability to cross cell membranes.The cyclopropyl group is known to increase lipophilicity. This can improve the compound’s ability to cross cellular membranes. This might enable it to access intracellular targets more effectively.This could allow it to reach intracellular targets with greater efficiency. If the compound were being explored for potential anti - inflammatory or anti - cancer activities, its ability to penetrate cells could be crucial.Its ability to penetrate cells may be critical if the compound is being investigated for anti-inflammatory or anti-cancer activities. Additionally, the overall structure might have a favorable binding profile to certain proteins involved in disease - related pathways.The overall structure could also have a favorable affinity for certain proteins involved in disease-related pathways.

From a synthetic chemistry perspective, this compound offers advantages in terms of its modular structure.This compound is advantageous from a synthetic chemistry point of view because of its modular structure. The ester functionality, in this case, the methyl ester, can be easily manipulated.The ester functionality in this case the methyl ester, can be easily modified. It can serve as a starting point for further derivatization.It can be used as a starting place for further derivation. For instance, hydrolysis of the methyl ester can yield the corresponding carboxylic acid, which can then be used to form amide or other ester derivatives with different substituents.Hydrolysis of methyl esters can yield carboxylic acids, which can be used to make amides or other ester derivatives. This flexibility allows chemists to fine - tune the physical and chemical properties of the compound, such as solubility, lipophilicity, and biological activity, for various applications.This flexibility allows chemists fine-tune the physical and chemical characteristics of the compound for different applications, such as its solubility, its lipophilicity and biological activity.

In terms of environmental impact, compared to some traditional pesticides or bioactive compounds, it might have a relatively lower persistence in the environment.It may have a lower environmental impact compared to other pesticides and bioactive compounds. The specific chemical structure could lead to more rapid degradation under natural conditions, reducing the risk of long - term accumulation in soil, water, or organisms.The chemical structure may lead to a more rapid degradation in natural conditions, reducing any risk of accumulation over a long period of time in soil, water or organisms. This would contribute to a more sustainable approach in both agricultural and pharmaceutical applications.This would lead to a more sustainable solution in agricultural and pharmaceutical applications. Overall, 2 - (2,4 - Dichloro - 5 - fluorobenzoyl) - 3 - cyclopropylaminoacrylic acid, methyl ester holds promise due to its potential biological activities, synthetic versatility, and possible environmental friendliness.

What are the disadvantages of 2-(2,4-DICHLORO-5-FLUOROBENZOYL)-3-CYCLOPROPYLAMINOACRYLIC ACID, METHYL ESTER?

2 - (2,4 - DICHLORO - 5 - FLUOROBENZOYL) - 3 - CYCLOPROPYLAMINOACRYLIC ACID, METHYL ESTER may have several potential disadvantages.
One concern could be its potential toxicity.Its potential toxicity could be a concern. Chemicals of this nature may pose risks to human health if they are not handled properly.If they are not handled correctly, chemicals of this type can pose health risks to humans. If it comes into contact with the skin, eyes, or is inhaled, it could cause irritation, allergic reactions, or more serious health effects.If it comes in contact with the eyes, skin, or is breathed in, it can cause irritation, allergic reaction, or other serious health effects. For example, it might lead to skin rashes, redness, and itching upon dermal contact.It could cause skin rashes, irritation, and redness when it comes into contact with the skin. Inhalation could potentially affect the respiratory system, causing coughing, shortness of breath, or in severe cases, long - term damage to the lungs.Inhalation can affect the respiratory system and cause coughing, shortness or breath, and in severe cases, permanent lung damage.

Another disadvantage could be its environmental impact.Environmental impact could be another disadvantage. When released into the environment, it may not break down easily.It may not degrade easily when released into the environment. Persistent organic pollutants can accumulate in the food chain.Persistent organic contaminants can accumulate in food chains. This chemical might contaminate soil, water bodies, and affect aquatic and terrestrial ecosystems.This chemical could contaminate water bodies and soil and affect aquatic and terrestial ecosystems. It could harm plants, insects, and other organisms that come into contact with it.It can harm plants, insects and other organisms who come into contact with the chemical. For instance, it might disrupt the growth and development of plants in the surrounding area where it is present, and could also have negative impacts on beneficial insects like bees, which are crucial for pollination.It could, for example, disrupt the growth and development in the area where it is located, and also have negative effects on beneficial insects such as bees that are essential for pollination.

In terms of its manufacturing process, it may require complex and energy - intensive procedures.It may require complex and energy-intensive procedures in its manufacturing process. This not only increases the cost of production but also contributes to environmental pollution during manufacturing.This increases the cost of manufacturing and also contributes to pollution during production. The use of certain solvents or reagents in the synthesis could also pose safety and disposal challenges.The use of certain reagents or solvents in the synthesis process could also present safety and disposal issues. If these by - products are not managed well, they can further add to the environmental burden.These by-products can add to the environmental burden if they are not properly managed.

Furthermore, if this compound is used in specific applications such as in the production of certain materials or in chemical reactions, it may have limitations in terms of reactivity.Reactivity may also be limited if the compound is used for specific applications, such as the production of certain materials, or chemical reactions. It might not react as expected with certain substrates, leading to inefficient reactions or the formation of unwanted by - products.It may not react as expected with some substrates, resulting in inefficient reactions or formation of unwanted by-products. This could waste resources and increase production costs as more starting materials may be needed to obtain the desired end - product.This could lead to waste of resources and increased production costs, as more materials may be required to produce the desired end-product. Also, its stability under different conditions may be an issue.Its stability under different conditions could also be a problem. If it degrades easily in the presence of light, heat, or certain chemicals, it could limit its usability and storage life.If it degrades quickly in the presence or heat, light, or certain chemicals it could limit its use and storage life.

What are the safety precautions for handling 2-(2,4-DICHLORO-5-FLUOROBENZOYL)-3-CYCLOPROPYLAMINOACRYLIC ACID, METHYL ESTER?

When handling 2-(2,4-DICHLORO-5-FLUOROBENZOYL)-3-CYCLOPROPYLAMINOACRYLIC ACID, METHYL ESTER, several safety precautions should be taken.
Firstly, personal protective equipment is crucial.Personal protective equipment is essential. Wear appropriate chemical - resistant gloves.Wear gloves that are resistant to chemicals. Nitrile or neoprene gloves are often good choices as they can provide a barrier against potential skin contact.These gloves can protect the skin from potential contact. Skin exposure to this chemical may lead to irritation, and in more severe cases, could cause allergic reactions.This chemical can cause irritation and, in some cases, allergic reactions. Additionally, wear safety goggles to protect the eyes.Wear safety goggles as well to protect your eyes. Even a small splash of the chemical into the eyes can cause significant harm, including irritation, redness, and potential damage to the cornea.Even a small splash can cause serious harm to the eyes, including irritation, redness and possible corneal damage. A lab coat or other protective clothing should also be worn to prevent the chemical from coming into contact with regular clothing and the body.Wearing a lab coat or other protective clothing will also prevent the chemical from coming in contact with clothing and the skin.

Secondly, ensure proper ventilation. Work in a well - ventilated area, preferably under a fume hood.Work in an area that is well-ventilated, preferably under the fume hood. This chemical may emit vapors that can be harmful if inhaled.This chemical can emit vapors which are harmful if inhaled. Inadequate ventilation can lead to the accumulation of these vapors, increasing the risk of respiratory problems.Inadequate ventilation may lead to an accumulation of these vapors and increase the risk of respiratory issues. Inhalation might cause irritation to the nose, throat, and lungs, and could potentially lead to more serious respiratory disorders over time.Inhalation can cause irritation of the nose, throat and lungs.

Thirdly, be careful during storage.Thirdly, take care when storing the chemical. Store the chemical in a cool, dry place away from sources of heat and ignition.Store the chemical in an area that is cool and dry, away from heat sources and ignition. It should be kept in a properly labeled container to avoid confusion and ensure that anyone handling it is aware of its nature.Keep it in a container that is clearly labeled to avoid confusion. Separate it from incompatible substances.Separate it from other substances. Some chemicals may react violently with 2-(2,4-DICHLORO-5 - FLUOROBENZOYL)-3 - CYCLOPROPYLAMINOACRYLIC ACID, METHYL ESTER, leading to fires, explosions, or the release of toxic gases.

Fourthly, in case of accidental exposure, know the appropriate first - aid measures.In the event of accidental exposure to a substance, you should know what first-aid measures to take. If it comes into contact with the skin, immediately wash the affected area with plenty of soap and water for at least 15 minutes.If it gets on your skin, wash the area thoroughly with soap and water. Do this for at least 15 mins. If it gets into the eyes, rinse them thoroughly with clean water for an extended period and seek immediate medical attention.If it gets in the eyes, rinse them thoroughly for a long time with clean water and seek immediate medical assistance. If inhaled, move to fresh air immediately.Inhalation should be treated immediately by moving to fresh air. If a large amount has been inhaled or if breathing difficulties persist, seek medical help.If you have inhaled a large amount or are experiencing breathing difficulties, seek medical attention. And in the event of ingestion, do not induce vomiting unless specifically directed by medical personnel, and seek emergency medical treatment right away.In the event of an ingestion, you should not induce vomiting, unless directed by medical personnel. Seek immediate medical attention.

Finally, when disposing of this chemical, follow all local, regional, and national regulations.Lastly, when disposing this chemical, make sure to follow all local, national, and regional regulations. Improper disposal can contaminate the environment and pose risks to human health and wildlife.Improper disposal of chemicals can cause contamination of the environment, and pose health risks to humans and wildlife.