6 Thioxo 1 6 Dihydropyridine 3 Carboxylic Acid
pyridine pyrrole pyrazine piperidine piperazine

6-thioxo-1,6-dihydropyridine-3-carboxylic acid

    Specifications

    HS Code

    103102

    Name 6-thioxo-1,6-dihydropyridine-3-carboxylic acid
    Molecular Formula C6H5NO2S
    Molar Mass 155.174 g/mol
    Appearance Solid (predicted)
    Melting Point 243 - 245 °C (predicted)
    Boiling Point 416.3±45.0 °C at 760 mmHg (predicted)
    Density 1.48±0.1 g/cm3 at 20 °C (predicted)
    Pka 1.66±0.20 (predicted)
    Solubility Soluble in DMSO, Methanol (Slightly), Water (Slightly)
    Logp 0.64 (predicted)

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    Frequently Asked Questions

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    What is the chemical structure of 6-thioxo-1,6-dihydropyridine-3-carboxylic acid?
    Alas! Now I want to solve the chemical structure of "6-thioxo-1,6-dihydropyridine-3-carboxylic acid". This is the naming of organic compounds. To clarify its structure, the naming rules need to be analyzed in detail.
    "pyridine", pyridine is also a six-membered nitrogen-containing heterocycle. "1,6-dihydropyridine" shows the hydrogenation of the 1st and 6th positions of the pyridine ring, resulting in a change in the double bond state. "6-thioxo" Table 6 is replaced by a thioxy group, that is, the carbon atom and the sulfur atom at this position are connected by a double bond. "- 3-carboxylic acid" indicates that the 3-position is connected with a carboxylic group (-COOH).
    From this, the structure of this compound is based on a 1,6-dihydropyridine ring, with a thioxy group at the 6th position and a carboxyl group at the 3rd position. Its ring has six elements and contains a nitrogen atom. The 1,6 positions are different from the original pyridine structure due to hydrogenation. The carboxyl group at the 3rd position and the thioxy group at the 6th position are each one, and they form a potential to coconstitute the unique structure of this organic compound. Its structure has specific chemical activities and physical properties due to the spatial arrangement and interaction of each group, and may be important in the research of organic chemistry and related fields.
    What are the physical properties of 6-thioxo-1,6-dihydropyridine-3-carboxylic acid
    6-Thio-1,6-dihydropyridine-3-carboxylic acid is one of the organic compounds. It has some unique physical properties.
    Looking at its properties, under normal temperature and pressure, it mostly takes a solid form, but it also varies depending on its crystallization and impurities. The value of its melting point is quite critical in scientific research and practical applications. The determination of the melting point can help to distinguish the characteristics of its purity and structure. It is rare to obtain exact data to clarify.
    In terms of solubility, the performance of such compounds in organic solvents is particularly interesting. Generally speaking, it may have a certain solubility in polar organic solvents such as methanol and ethanol. Due to the formation of hydrogen bonds or other intermolecular forces between polar solvents and the compound, it can be partially dissolved. In non-polar solvents, such as n-hexane and benzene, the solubility may be low, covering the difference in the intermolecular forces between the two.
    As for its appearance, or white to light yellow powdery substances, the formation of this color may be related to the distribution of electron clouds in the molecular structure and the existence of conjugated systems.
    In addition, the stability of the compound is also an important consideration. Under normal environmental conditions, without special chemical reaction conditions, its structure may be relatively stable. However, extreme conditions such as high temperature, strong acid, and strong base may cause changes in molecular structure, causing chemical reactions such as hydrolysis and isomerization.
    In summary, the physical properties of 6-thio-1,6-dihydropyridine-3-carboxylic acids are of great significance in the fields of organic synthesis and drug development, and need to be studied and explored in detail in order to make good use of them.
    What are the common synthesis methods of 6-thioxo-1,6-dihydropyridine-3-carboxylic acid
    The common synthesis method of 6-thio-1,6-dihydropyridine-3-carboxylic acid has many ways. The ancient chemical synthesis follows the classical way and has been honed over the years to obtain a delicate method.
    First, it can be started by a compound containing a pyridine ring. First, take a suitable pyridine derivative, which needs to have a modifiable check point in its structure and meet the sulfur-containing reagent. For example, take a specific pyridine as the base, add a catalyst to a suitable solvent, add a catalyst, and heat it at a controlled temperature. Solvents often choose polar organic solvents, such as ethanol and acetone, which can fully dissolve the reactants and facilitate the reaction. The catalyst may be a metal salt, such as zinc chloride, copper sulfate, etc., to accelerate the reaction process. The temperature may be tens to hundreds of degrees Celsius, depending on the specific reaction. In this way, at a specific position on the pyridine ring, through nucleophilic substitution and other reactions, sulfur atoms are introduced to form a 6-thio structure. After carboxylation, carboxyl groups are introduced into the 3 position of the pyridine ring to obtain the target product.
    Second, it is based on the strategy of constructing the pyridine ring. Compounds containing carbonyl groups and amino groups, such as acetylacetone and aminonitrile, are selected to form the pyridine ring first in an alkaline environment through condensation reaction. The basic conditions can be provided by alkali metal hydroxides, such as sodium hydroxide and potassium hydroxide. After condensation, the product is then vulcanized with a vulcanization reagent, such as phosphorus pentasulfide, and sulfur atoms are introduced at the 6th position. Finally, carboxyl groups are added at the 3rd position by suitable carboxylation means, which is also a common synthesis path.
    Third, with the help of heterocyclic synthesis methods. React with heterocyclic precursors containing nitrogen and sulfur with reagents with carboxylation potential. For example, a specific thiazole derivative, through a series of reactions such as ring opening and rearrangement, builds a pyridine ring and introduces sulfur atoms and carboxyl groups at the same time. This process requires fine regulation of reaction conditions, and the solvent, temperature, and pH are all related to success or failure. Different methods have their own advantages and disadvantages, and it is necessary to choose carefully according to actual needs, raw material availability and cost factors in order to efficiently synthesize 6-thio-1,6-dihydropyridine-3-carboxylic acid.
    Where is 6-thioxo-1,6-dihydropyridine-3-carboxylic acid used?
    6-Thio- 1,6-dihydropyridine-3-carboxylic acid, this is a special organic compound. It is very useful in the field of pharmaceutical research and development. Due to its unique chemical structure, it can be used as a key intermediate to create various biologically active drug molecules. For example, it may participate in the construction of drugs with antibacterial and anti-inflammatory effects, and interact with specific biological targets to regulate physiological processes for the purpose of treating diseases.
    In the field of materials science, it has also made a name for itself. Polymer materials with specific properties can be prepared by chemical modification and polymerization. For example, the polymers involved in the synthesis may have good optical and electrical properties, and show application potential in optoelectronic devices, such as Light Emitting Diode, solar cells, etc.
    In the field of agriculture, there are also areas to be explored. It may be able to derive substances that can regulate plant growth, help crops increase yield and enhance stress resistance, such as improving crops' resistance to drought, diseases and pests, and contribute to the sustainable development of agriculture.
    Furthermore, in organic synthetic chemistry, it is an important building block. Chemists can build complex and diverse organic molecular structures through ingenious reaction design according to their structural characteristics, expand the types and functions of organic compounds, and promote the continuous development of organic chemistry.
    What is the market prospect of 6-thioxo-1,6-dihydropyridine-3-carboxylic acid?
    6-Thio-1,6-dihydropyridine-3-carboxylic acid, this is a unique organic compound. Looking at its market prospects, it has great potential in the field of pharmaceutical research and development. Geinpyridine compounds often have diverse biological activities, such as antibacterial, anti-inflammatory, anti-tumor, etc. The thio and dihydro structures of this compound may endow it with unique pharmacological properties, which can be used as lead compounds to lay the foundation for the creation of new drugs. Those in pharmaceutical research and development may be interested in it, which is expected to lead to novel and specific drugs and occupy a place in the market.
    In the field of materials science, organic carboxylic acids can participate in material synthesis reactions. 6-Thio-1,6-dihydropyridine-3-carboxylic acid may be able to complex with metal ions to prepare functional coordination polymer materials, which have emerged in the fields of adsorption and catalysis. With the development of materials science, the demand for special structural organic ligands is increasing, and its unique structure may be favored by material researchers, thus expanding its market application.
    However, its marketing activities also face challenges. The synthesis process may be complicated and costly, limiting large-scale production. And new compounds need to undergo strict safety and performance evaluation when they are put into the market. Only by overcoming such challenges, optimizing synthesis methods, reducing costs, and passing rigorous testing can we fully unleash market potential, shine brightly in fields such as medicine and materials, and win broad market prospects.