Ethyl 4 Hydroxy 3 Iodobenzoate
Iodobenzene

Ethyl 4 Hydroxy 3 Iodobenzoate

Fengxi Chemical

Specifications

HS Code

622286

Chemical Formula C9H9IO3
Molar Mass 292.07 g/mol
Appearance Solid (presumably, as no specific color given in general, but might be white to off - white)
Solubility In Water Low solubility (due to non - polar benzene ring and ester group, typical for such aromatic esters)
Solubility In Organic Solvents Soluble in common organic solvents like ethanol, dichloromethane, due to its organic nature
Melting Point Data would need to be sourced from experimental or literature values, but aromatic esters typically have a defined melting point in solid state
Boiling Point Data would need to be sourced from experimental or literature values, and is affected by its molecular weight and intermolecular forces
Density Data would need to be sourced from experimental or literature values, and related to its molecular packing
Ir Absorption Peaks Characteristic peaks for -OH (around 3200 - 3600 cm⁻¹), C = O of ester (around 1700 - 1750 cm⁻¹), C - I (around 500 - 600 cm⁻¹) etc., which can be used for identification
Pka The -OH group can have an acidic nature to some extent, and its pKa would be influenced by the electron - withdrawing effect of iodine and ester group, data would need to be sourced
Chemical Formula C9H9IO3
Molar Mass 292.07 g/mol
Appearance Solid (usually white or off - white)
Melting Point Specific value would need experimental determination
Boiling Point Specific value would need experimental determination
Solubility In Water Low solubility (organic compound with polar and non - polar parts)
Solubility In Organic Solvents Soluble in common organic solvents like ethanol, dichloromethane
Density Specific value would need experimental determination
Pka Of Hydroxyl Group Specific value would need experimental determination
Iodine Content High due to presence of iodine atom in molecule
Name Ethyl 4-hydroxy-3-iodobenzoate
Chemical Formula C9H9IO3
Molar Mass 292.07 g/mol
Appearance Solid
Melting Point 136 - 138 °C
Boiling Point N/A (decomposes)
Solubility In Water Insoluble
Solubility In Organic Solvents Soluble in common organic solvents like ethanol, dichloromethane
Density N/A
Flash Point N/A
Purity Typically high purity in chemical synthesis, e.g., 95%+
Cas Number 58827-53-9
Chemical Formula C9H9IO3
Molar Mass 292.07 g/mol
Appearance Solid (presumably, based on common benzoate compounds)
Physical State At Room Temperature Solid
Solubility In Water Low (benzoates generally have low water solubility due to non - polar aromatic part)
Solubility In Organic Solvents Soluble in common organic solvents like ethanol, acetone (due to the presence of an ester group and aromatic ring)
Melting Point Specific value would require experimental determination, but many benzoate esters have melting points in the range of tens to hundreds of degrees Celsius
Boiling Point Estimated to be relatively high due to the presence of the ester and aromatic groups, requires experimental determination
Pka The phenolic - OH group might have a pKa value in the range of typical phenols (around 9 - 10), as the presence of the electron - withdrawing iodine and ester groups can affect it
Density Needs experimental determination, but likely in the range of 1 - 2 g/cm³ based on similar aromatic esters
Packing & Storage
Packing 100 g of Ethyl 4 - hydroxy - 3 - iodobenzoate packaged in a sealed, labeled bottle.
Storage Ethyl 4 - hydroxy - 3 - iodobenzoate should be stored in a cool, dry place away from direct sunlight. Keep it in a tightly sealed container to prevent exposure to moisture and air, which could potentially lead to decomposition. Store it separately from incompatible substances, such as strong oxidizing agents, to avoid chemical reactions.
Shipping Ethyl 4 - hydroxy - 3 - iodobenzoate is shipped in well - sealed, corrosion - resistant containers. It is transported under controlled conditions, away from heat, ignition sources, and incompatible substances to ensure safety during transit.
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Ethyl 4 Hydroxy 3 Iodobenzoate Ethyl 4 Hydroxy 3 Iodobenzoate Ethyl 4 Hydroxy 3 Iodobenzoate
General Information
Frequently Asked Questions
What are the main uses of Ethyl 4-hydroxy-3-iodobenzoate?
Ethyl 4-hydroxy-3-iodobenzoate (ethyl 4-hydroxy-3-iodobenzoate) is an important compound in the field of organic synthesis and has a wide range of uses.
First, in the field of medicinal chemistry, this compound is a key intermediate. The presence of iodine atoms and hydroxyl groups endows it with unique reactivity and biological activity. Through a series of organic reactions, it can be structurally modified and derived to synthesize many drug molecules with potential biological activities. For example, it can react with specific amines, alcohols and other reagents to construct complex chemical structures to develop therapeutic drugs for specific diseases, such as antibacterial, anti-inflammatory and anti-tumor drugs.
Second, in the field of materials science, Ethyl 4-hydroxy-3-iodobenzoate also shows potential application value. Because of the ester group, hydroxyl group and iodine atoms contained in its chemical structure, it can participate in the synthesis and modification process of materials. For example, it can be introduced into the structure of polymers to improve the properties of polymer materials by means of its reactivity, such as improving the solubility, thermal stability and optical properties of materials, so as to be used in the preparation of new functional materials, such as photoelectric materials, sensing materials and other fields.
Third, in the study of organic synthetic chemistry, Ethyl 4-hydroxy-3-iodobenzoate as an important starting material or intermediate, and is widely used in the research and method development of various organic reactions. Its diverse functional groups provide rich reaction checking points for organic chemists, which can be used to explore novel reaction paths and synthesis strategies, and promote the development and progress of organic synthetic chemistry.
What are the synthetic methods of Ethyl 4-hydroxy-3-iodobenzoate?
The methods for preparing Ethyl 4-hydroxy-3-iodobenzoate (ethyl 4-hydroxy-3-iodobenzoate) are as follows.
One of them can be started from ethyl 4-hydroxy benzoate. First, an appropriate iodine substitution reagent, such as iodine elemental ($I_ {2} $), works synergistically with a suitable oxidant. Common oxidants such as hydrogen peroxide ($H_ {2} O_ {2} $), under mild reaction conditions, introduce iodine atoms at the hydroxyl ortho-position of ethyl benzoate. This reaction needs to be controlled by the reaction temperature, the amount of reagent and the reaction time. If the temperature is too high, side reactions may breed; if the amount of reagent is inappropriate, the reaction may be incomplete.
Second, 3-iodine-4-methoxybenzoic acid can also be used as the starting material. The methoxy group is first treated with a suitable demethylation agent, such as boron tribromide ($BBr_ {3} $), so that the methoxy group is converted into a hydroxyl group, and then the esterification reaction is carried out with ethanol under acid catalysis. The acid catalyst can be concentrated sulfuric acid or p-toluenesulfonic acid. During the reaction, attention should be paid to the reversibility of the esterification reaction. The generated water can be removed to promote the reaction to move in the direction of ester formation.
Third, 4-hydroxy-3-nitrobenzoic acid is used as the starting material. The nitro group is first converted into an amino group through a reduction reaction, such as iron and hydrochloric acid as a reduction system. After 4-hydroxy-3-aminobenzoic acid is obtained, it is then reacted with sodium nitrite and hydrochloric acid to form a diazonium salt, then reacted with potassium iodide to introduce iodine atoms, and finally esterified with ethanol to obtain the target product. There are many steps in this path, but the reaction conditions of each step are relatively mature, and the reaction process and product purity of each step need to be carefully controlled.
What are the physical properties of Ethyl 4-hydroxy-3-iodobenzoate?
Ethyl 4-hydroxy-3-iodobenzoate is an organic compound, its physical properties are quite unique. This compound is mostly solid at room temperature, and its appearance may be white to light yellow crystalline powder. Because it contains specific atoms and functional groups, its appearance has this characteristic.
As far as the melting point is concerned, it is about a specific temperature range. The specific value varies slightly according to the experimental conditions. Usually within a certain temperature range, when heated, the lattice structure is damaged, the molecule is energized, and it changes from solid to liquid.
In terms of solubility, it has a certain solubility in organic solvents such as ethanol and acetone. This is due to the existence of intermolecular forces between organic solvent molecules and Ethyl 4-hydroxy-3-iodobenzoate molecules, such as van der Waals force, hydrogen bond, etc., which can promote dissolution. However, the solubility in water is not good, because although there are hydroxyl groups in the molecule that can form hydrogen bonds with water, the ester group and the iodine atom have strong hydrophobicity, which weakens its solubility in water as a whole.
The compound has a certain density. Compared with water, due to the molecular composition and accumulation mode, the density may be greater than or less than water, which affects its distribution in the mixed system. In addition, Ethyl 4-hydroxy-3-iodobenzoate also needs to pay attention to the light and thermal stability. Light, high temperature or cause decomposition, isomerization and other reactions to affect its chemical purity and properties. Therefore, this physical property should be considered when storing and using, and it should be properly stored to avoid its deterioration. To ensure stable performance in organic synthesis, drug development and other fields.
What are the chemical properties of Ethyl 4-hydroxy-3-iodobenzoate?
Ethyl + 4 - hydroxy - 3 - iodobenzoate, ethyl 4 - hydroxy - 3 - iodobenzoate, is an organic compound with unique chemical properties.
First, it has the properties of esters. Esters can undergo hydrolysis reactions catalyzed by acids or bases. Under acidic conditions, 4-hydroxy-3-ethyl iodobenzoate is hydrolyzed to generate 4-hydroxy-3-iodobenzoic acid and ethanol; under basic conditions, hydrolysis generates 4-hydroxy-3-iodobenzoate and ethanol. This hydrolytic property is often used to construct or break carbon-oxygen bonds in organic synthesis, providing a way for the synthesis of organic compounds with specific structures.
Second, there are hydroxyl and iodine atoms on its phenyl ring. Hydroxyl groups have certain nucleophilic properties and can participate in many nucleophilic substitution reactions. For example, with halogenated hydrocarbons under the action of bases, corresponding ethers can be formed. Iodine atoms are good leaving groups. Under the catalysis of metals, coupling reactions can occur, such as carbon-carbon bond coupling with compounds containing unsaturated bonds under the catalysis of metals such as palladium, which greatly expands its application in the field of organic synthesis and is conducive to the construction of complex carbon skeleton structures.
Third, due to the presence of hydroxyl groups, hydrogen bonds can be formed between molecules. Hydrogen bonds affect the physical properties of substances, such as melting points and boiling points are relatively high, and the solubility in some solvents is affected by hydrogen bonds. In polar solvents, the solubility or hydrogen bonds are enhanced, which is of great significance for their separation, purification and reaction medium selection.
Fourth, ethyl 4-hydroxy-3-iodobenzoate has certain chemical stability, but under extreme conditions such as strong oxidizing agent and high temperature, the molecular structure may be destroyed. At the same time, the electron cloud distribution of the benzene ring changes due to the substitution of hydroxyl and iodine atoms, which affects the electrophilic substitution reaction activity and check point selectivity on the benzene ring.
What are the precautions for Ethyl 4-hydroxy-3-iodobenzoate during storage and transportation?
Ethyl + 4 - hydroxy - 3 - iodobenzoate is an organic compound. During storage and transportation, many matters need to be paid attention to.
First storage environment. Be sure to choose a cool, dry and well-ventilated place. This compound is sensitive to humidity and temperature. High temperature and humid environment can easily cause it to deteriorate. The temperature should be controlled within a specific range to prevent thermal decomposition. If placed in a cool warehouse, keep away from heat sources and open flames to ensure safety and stability.
Furthermore, when storing, it needs to be isolated from air. Because some of its structure may react with oxygen in the air, resulting in quality damage. It can be stored in a sealed container, such as an airtight glass bottle or a container with a sealing gasket, to prevent air intrusion.
When shipping, the packaging must be solid and reliable. It needs to be wrapped with suitable materials to prevent vibration and collision from causing the container to burst. If filled with foam, cotton and other cushioning materials, the outer packaging should be clearly marked, indicating its properties and precautions.
In addition, this compound may have certain toxicity and irritation. Personnel should avoid direct contact, whether during storage or transportation. Wear appropriate protective equipment, such as gloves, goggles and protective clothing, during operation to prevent accidental contact with skin or eyes and cause injury. In case of inadvertent contact, rinse with plenty of water immediately and seek medical attention in time.
In conclusion, for the storage and transportation of Ethyl + 4 - hydroxy - 3 - iodobenzoate, care must be taken in terms of environment, packaging and personnel protection to ensure its quality and safety.