Ethyl 4-chloro-2-oxo-3H-1,3-benzothiazole-3-ylacetate

The chemical structure of "Ethyl 4 - chloro - 2 - oxo - 3H - 1,3 - benzothiazole - 3 - ylacetate" is as follows. In the name of this compound, "Ethyl" indicates that it contains ethyl ester group, that is, the structural part of -COOCH -2 CH. "4 - chloro" shows a chlorine atom substitution at the 4th position of the benzothiazole ring. "2 - oxo" says that there is a carbonyl group (C = O) at the 2nd position. " 3H-1,3-benzothiazole "shows that its core structure is a 1,3-benzothiazole ring, and the hydrogen atom at the 3rd position can be replaced by other groups. Here" 3-ylacetate "means that the 3rd position is connected to a monoacetate group (-CH -2 COOCH ⃣ CH 😉).
In general, its chemical structure is: with a 1,3-benzothiazole ring as the core, the 4th position is a chlorine atom, the 2nd position is a carbonyl group, and the 3rd position is connected to an ethyl acetate group through methylene (-CH -2 -). That is to say, with such a structure: C H S (N = C (O) - C (Cl) = C) - CH ² - COOCH ® CH 🥰, in this structure, the sulfur atom of the benzothiazole ring and the nitrogen atom are at the 1,3 position, and the substituents are connected in order according to the above positions, which is the approximate chemical structure of the compound.

Ethyl 4 - chloro - 2 - oxo - 3H - 1,3 - benzothiazole - 3 - ylacetate (4 - chloro - 2 - oxo - 3H - 1,3 - benzothiazole - 3 - ethyl acetate) is widely used. In the field of medicine, it is often used as a key intermediate to synthesize specific drugs, helping pharmaceutical chemists to create new drugs with specific curative effects. In the field of organic synthetic chemistry, it is an important cornerstone. It can be skillfully spliced with other organic molecules through various chemical reactions to construct complex and novel organic compounds, which contribute to the development of organic synthetic chemistry.
In the field of pesticides, it can also play an important role. Or it can be used as a raw material to prepare pesticides with insecticidal, bactericidal or herbicidal activities. After careful design and synthesis, the pesticide is endowed with a unique mechanism of action and high efficiency, which escorts agricultural production and helps agricultural crops harvest.
At the same time, in the field of materials science, or because of its unique chemical structure and some special physical and chemical properties, it is used to develop new materials, such as optical materials, polymer materials, etc., providing new opportunities for the innovation and development of materials science.
All in all, Ethyl 4 - chloro - 2 - oxo - 3H - 1,3 - benzothiazole - 3 - ylacetate plays a pivotal role in many fields such as medicine, pesticides, materials science, etc., and contributes a key force to technological innovation and development in various fields.

In order to prepare ethyl 4-chloro-2-oxo-3H-1,3-benzothiazole-3-ylacetate, the following synthesis methods are often followed.
First, o-aminothiophenol and chloroacetyl chloride are used as starting materials. First, o-aminothiophenol and chloroacetyl chloride are condensed in an organic solvent such as dichloromethane in the presence of a suitable base such as potassium carbonate. In this process, the amino group of o-aminothiophenol is condensed with the acyl chloride group of chloroacetyl chloride to form an amide bond, while the chlorine atom of chloroacetyl chloride is retained. Then, under acidic conditions, such as concentrated sulfuric acid or polyphosphoric acid, an intramolecular cyclization reaction occurs to form a 1,3-benzothiazole ring, and 4-chloro-2-oxo-3H-1,3-benzothiazole-3-acetic acid is formed. Finally, the product is esterified with ethanol under the catalysis of concentrated sulfuric acid, and the target product, ethyl 4-chloro-2-oxo-3H-1,3-benzothiazole-3-ylacetate, can be obtained.
Second, 2-amino-3-chlorobenzoic acid is used as the starting material. First, it reacts with thiophosgene to convert the amino group to thiocaryl chloride, and then cyclizes under basic conditions to obtain 4-chloro-2-oxo-1,3-benzothiazole. Afterwards, 4-chloro-2-oxo-1,3-benzothiazole is deprotonated in a suitable solvent, such as N, N-dimethylformamide, using a strong base, such as sodium hydride, to generate a carbon negative ion intermediate, which is then reacted with ethyl chloroacetate and nucleophilic substitution to obtain ethyl 4-chloro-2-oxo-3H-1,3-benzothiazole-3-ylacetate.
Third, 2-chlorobenzoic acid and thiourea are used as starting materials. The two react to form 2-chlorobenzoyl thiourea, then close the ring under basic conditions to form 4-chloro-2-oxo-1,3-benzothiazole-3-acetic acid, and finally esterified, that is, reacted with ethanol under acid catalysis to obtain the target product ethyl 4-chloro-2-oxo-3H-1,3-benzothiazole-3-ylacetate.
All kinds of synthesis methods have their own advantages and disadvantages. In actual preparation, it is necessary to weigh the availability of raw materials, the difficulty of reaction conditions, the purity of the product and many other factors in detail, and choose the appropriate one.

Ethyl 4 - chloro - 2 - oxo - 3H - 1,3 - benzothiazole - 3 - ylacetate is an organic compound. Its physical properties are as follows:
This substance may be crystalline, and it is usually white to white solid powder. Due to its regular molecular structure, intermolecular forces promote the formation of an ordered lattice structure. Its melting point or within a specific range, due to the interaction of intermolecular forces and lattice energy, a specific energy is required to convert a solid state into a liquid state. The melting point can be accurately measured by a melting point tester.
As for solubility, it may exhibit different solubility properties in organic solvents. In polar organic solvents, such as ethanol and acetone, there may be a certain solubility, due to the polar groups in their molecular structure, and the polar solvent molecules are dissolved by hydrogen bonding or dipole-dipole interaction; in non-polar organic solvents, such as n-hexane, the solubility may be limited, due to the weak intermolecular force between non-polar solvents and molecules.
In addition, its density is also an important physical property. Depending on the molecular weight and the degree of molecular accumulation, accurate values can be obtained by density measurement methods. This value is of great significance in chemical production, material separation and other fields, and is related to material measurement, reaction system ratio and other operations. Furthermore, its appearance and crystal form may vary depending on the preparation conditions, and different crystal forms may affect its physical and chemical properties, such as stability, solubility, etc. Therefore, studying its crystal form is crucial for a comprehensive understanding of the properties of the compound.

Ethyl 4 - chloro - 2 - oxo - 3H - 1,3 - benzothiazole - 3 - ylacetate is an organic compound. Its chemical properties are quite unique and valuable to explore.
This compound contains chlorine atoms, carbonyl groups and benzothiazole rings and other key functional groups. The presence of chlorine atoms makes the compound active in nucleophilic substitution reactions. Due to its high electronegativity, it can make the carbon atoms connected to it partially positive, vulnerable to attack by nucleophiles, and then substitution reactions can occur, which can introduce other functional groups and provide multiple pathways for organic synthesis. The
carbonyl group, as a strong polar functional group, endows compounds with many properties. It can participate in a variety of reactions, such as the nucleophilic addition reaction of carbonyl groups. Nucleophilic reagents can attack carbonyl carbon atoms and form new chemical bonds, which play a key role in the construction of complex organic molecular structures. In addition, carbonyl groups can also be converted into alcohol hydroxyl groups through reduction reactions or oxidation reactions under specific conditions, and further different types of compounds can be derived. The
benzothiazole ring structure endows compounds with certain stability and unique electronic effects. The distribution of electron clouds in this ring system affects the reactivity of functional groups connected to it. At the same time, due to the existence of its conjugate system, the compound also has unique spectral properties and may have potential applications in the fields of organic optoelectronic devices.
Furthermore, the ester group in this compound also has specific chemical properties. The ester group can undergo hydrolysis under acidic or basic conditions. When hydrolyzed in acid, the corresponding carboxylic acids and alcohols are formed; when hydrolyzed in alkaline, the carboxylic salts and alcohols are formed. This property can be used in organic synthesis for the transformation of functional groups and the preparation of target products.
Ethyl 4 - chloro - 2 - oxo - 3H - 1,3 - benzothiazole - 3 - ylacetate exhibits rich and diverse chemical properties due to the interaction of various functional groups, and has broad application prospects in many fields such as organic synthesis and medicinal chemistry.