2 Butyl 3 3 5 Diiodo 4 Hydroxybensoyl Benzofuran
Iodobenzene

2-butyl-3-(3',5-diiodo-4-hydroxybensoyl)-benzofuran

Fengxi Chemical

Specifications

HS Code

602159

Chemical Formula C21H16I2O4
Molecular Weight 583.16
Appearance Solid (predicted)
Boiling Point 606.9°C at 760 mmHg (predicted)
Melting Point 193 - 195°C
Density 1.872 g/cm³ (predicted)
Logp 5.54 (predicted)
Solubility Soluble in organic solvents like DMSO
Pka 7.98 (predicted)
Vapor Pressure 1.22E-14 mmHg at 25°C (predicted)
Chemical Formula C19H14I2O4
Molar Mass 563.12 g/mol
Appearance Solid (presumably, based on typical benzofuran derivatives)
Solubility In Water Low (hydrophobic due to large non - polar benzofuran and aromatic groups)
Solubility In Organic Solvents Moderate to high in non - polar organic solvents like chloroform, dichloromethane
Boiling Point Difficult to predict precisely, but would require high temperature to vaporize due to strong intermolecular forces, likely >300 °C
Uv Vis Absorption Absorptions in the UV region due to conjugated aromatic systems, with peaks potentially around 250 - 350 nm
Ir Absorption Characteristic peaks for C - H stretches (around 2800 - 3000 cm⁻¹), C = O stretch (around 1650 - 1750 cm⁻¹ for the benzoyl group), and C - I stretches (around 500 - 600 cm⁻¹)
Pka The phenolic - OH group may have a pKa in the range of 9 - 11
Chemical Formula C21H16I2O4
Molecular Weight 579.16
Physical State Solid (usually)
Appearance Typically white to off - white powder
Melting Point Varies, but generally in a certain temperature range
Solubility Sparingly soluble in water, more soluble in some organic solvents
Density Specific value depending on conditions
Boiling Point Determined by its molecular structure and intermolecular forces
Pka Related to its acidic or basic functional groups
Uv Vis Absorption Characteristic absorption bands
Chemical Formula C21H16I2O4
Molecular Weight 586.16
Appearance Solid (usually)
Melting Point Varies, needs experimental determination
Solubility In Water Low solubility in water
Solubility In Organic Solvents Soluble in some organic solvents like chloroform, DMSO
Density Experimental determination required
Pka Value Related to the phenolic -OH group, specific value needs measurement
Uv Vis Absorption Absorbs in specific UV - Vis regions related to its chromophoric groups
Packing & Storage
Packing 100 - gram vial of 2 - butyl - 3 - (3',5 - diiodo - 4 - hydroxybensoyl) - benzofuran, well - sealed.
Storage Store 2 - butyl - 3 - (3',5 - diiodo - 4 - hydroxybenzoyl) - benzofuran in a cool, dry place away from direct sunlight. Keep it in a tightly sealed container to prevent moisture absorption and potential chemical reactions. Store it separately from incompatible substances to avoid contamination, preferably in a dedicated chemical storage area with proper ventilation.
Shipping 2 - butyl - 3 - (3',5 - diiodo - 4 - hydroxybenzoyl) - benzofuran is shipped in accordance with chemical transportation regulations. It's carefully packaged to prevent damage and ensure safe transit, with proper labeling for hazard information.
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2-butyl-3-(3',5-diiodo-4-hydroxybensoyl)-benzofuran 2-butyl-3-(3',5-diiodo-4-hydroxybensoyl)-benzofuran 2-butyl-3-(3',5-diiodo-4-hydroxybensoyl)-benzofuran
General Information
Frequently Asked Questions
What is the chemical structure of 2-butyl-3- (3 ', 5-diiodo-4-hydroxybensoyl) -benzofuran?
2 - butyl - 3 - (3 ', 5 - diiodo - 4 - hydroxybenzoyl) - benzofuran is the name of an organic compound. To know its chemical structure, the name can be disassembled to deduce it.
"benzofuran" is benzofuran, which is the core parent ring structure of this compound. Benzofuran is formed by fusing a benzene ring with a furan ring, and has a specific unsaturated ring structure.
"2 - butyl" means that at the second position of benzofuran, it is connected with a butyl (-C H). Butyl is a saturated alkyl group composed of four carbon atoms connected in a chain, which is attached to the benzofuran ring and affects the physical and chemical properties of the compound.
"3 - (3 ', 5 - diiodo - 4 - hydroxybenzoyl) " part refers to the 3 position of benzofuran, which is connected with a substituent. In this substituent, "benzoyl" is benzoyl, that is, a benzene ring is connected to a carbonyl (-CO -). And "3 ', 5-diiodo-4-hydroxy" shows that on the benzene ring of benzoyl group, there is an iodine atom (-I) substitution at the 3' position and the 5 'position, and a hydroxy (-OH) substitution at the 4' position.
In summary, the chemical structure of 2-butyl-3- (3 ', 5-diiodo-4-hydroxybenzoyl) -benzofuran is benzofuran as the parent ring, with a butyl group at the 2nd position and a specific substituted benzoyl group at the 3rd position. The benzoyl ring of the benzoyl group has an iodine atom at the 3' and 5 'positions, and a hydroxyl group at the 4' position. This structure gives the compound a unique electron cloud distribution, spatial configuration and reactivity, which may be of great significance in organic synthesis, medicinal chemistry and other fields.
What are the physical properties of 2-butyl-3- (3 ', 5-diiodo-4-hydroxybensoyl) -benzofuran
2 - butyl - 3 - (3 ', 5 - diiodo - 4 - hydroxybensoyl) - benzofuran, this is an organic compound. Its physical properties are related to many characteristics of this substance, and the following are in detail for you.
Let's talk about the appearance first. Generally speaking, such organic compounds are mostly in solid form. Because of its molecular structure with certain regularity and interaction force, the molecules are arranged in an orderly manner, and then appear in a solid state. As for the color, or white to light yellow solids, this is determined by the light absorption and reflection characteristics of the atoms and chemical bonds contained in the molecule. The presence of iodine atoms or the change of light absorption at specific wavelengths affects the apparent color of the compound.
Besides the melting point, the melting point of this compound depends on the intermolecular forces. Its molecules contain benzene rings, carbonyl groups, hydroxyl groups and other structures, and there are van der Waals forces, hydrogen bonds and other interactions between molecules. The dispersion force between benzene rings and the hydrogen bond between hydroxyl groups and carbonyl groups may form, so that the molecule is tightly bound. Therefore, the melting point may be in a certain temperature range, but the exact value needs to be accurately determined by experiments.
In terms of solubility, in view of its molecular structure containing hydrophobic alkyl (butyl) and benzene rings, it also has hydrophilic hydroxyl groups and carbonyl groups. In organic solvents, such as ethanol, chloroform, dichloromethane, etc., or exhibit certain solubility. Because organic solvents and compounds can form van der Waals force interactions, which help them disperse and dissolve. In water, the hydrophobic part accounts for a large proportion, and the solubility may be poor. However, hydroxyl and carbonyl groups can form hydrogen bonds with water, resulting in extremely slight dissolution in water.
The characteristics of density are closely related to molecular weight and molecular accumulation. The molecules of this compound contain iodine atoms, and the relative atomic weight of iodine atoms is large, resulting in an increase in molecular weight. And the molecular structure is tightly and orderly piled up, or the density is relatively large. However, the exact density also needs to be measured experimentally to obtain accurate values.
In short, the physical properties of 2-butyl-3- (3 ', 5-diiodo-4-hydroxybensoyl) -benzofuran are determined by its unique molecular structure, which has far-reaching effects on its behavior and application in different environments.
What is the main use of 2-butyl-3- (3 ', 5-diiodo-4-hydroxybensoyl) -benzofuran?
2 - butyl - 3- (3 ', 5 - diiodo - 4 - hydroxybensoyl) - benzofuran, Chinese name or 2 - butyl - 3- (3', 5 - diiodo - 4 - hydroxybenzoyl) - benzofuran, this is an organic compound. Its use is more common in scientific research and medical chemistry.
In the field of scientific research, it is often used as an intermediate in organic synthesis. The key to organic synthesis lies in creating compounds with novel structures and specific properties. This compound has a unique molecular structure, or contains active functional groups and conjugated systems. It can be skillfully combined with other reagents through organic chemical reactions. Through careful design and regulation of reaction conditions, organic molecules with more complex structures and unique functions can be derived. It injects vitality into the development of organic synthetic chemistry and promotes frontier research in this field.
In the field of medicinal chemistry, its role is crucial. Studies have shown that such compounds containing benzofuran structures may have a variety of biological activities, such as antibacterial, anti-inflammatory, and anti-tumor. 2-Butyl-3- (3 ', 5-diiodine-4-hydroxybenzoyl) -benzofuran, or because of its specific chemical structure and electron cloud distribution, can precisely act on specific targets in organisms, interfere with or regulate key physiological and biochemical processes in organisms, showing potential medicinal value. On this basis, pharmaceutical researchers can carry out in-depth pharmacological research and drug design optimization work, hoping to develop innovative drugs with high efficiency and low toxicity, and contribute to human health.
The application of this compound in the fields of organic synthesis and pharmaceutical research and development highlights its unique scientific value and broad development prospects.
What are the synthesis methods of 2-butyl-3- (3 ', 5-diiodo-4-hydroxybensoyl) -benzofuran
The synthesis of 2-butyl-3- (3 ', 5-diiodine-4-hydroxybenzoyl) -benzofuran has several paths to follow.
First, it can be started from benzofuran derivatives. The benzofuran is modified at a specific position to introduce butyl. Usually, in the presence of a suitable catalyst, the benzofuran is reacted with halobutane in an organic solvent, so that the butyl can be successfully connected to the 2-position of the benzofuran. Then, through an acylation reaction, the 3-position is reacted with an acylating reagent containing a 3 ', 5-diiodo- 4-hydroxybenzoyl group structure. This acylating reagent can be prepared in advance, for example, with 3,5-diiodo- 4-hydroxybenzoic acid as a raw material, converted into an acid chloride or an acid anhydride by reaction with an appropriate reagent, and then reacted with a butyl-containing benzofuran to obtain the target product.
Second, the construction of a benzofuran ring can also be started. Use a suitable phenolic compound and a butyl-containing o-halobenzophenone as a starting material. Under the action of alkali, the hydroxyl group of phenolic compounds undergoes nucleophilic substitution reaction with the halogen atom of o-halogenated acetophenone, and then is cyclized within the molecule to form benzofuran structure, and butyl can be introduced at the same time in this process. After that, the specific position on the benzofuran ring is modified by iodization and hydroxylation, and then the 3 ', 5-diiodine-4-hydroxybenzoyl structure is connected by acylation reaction, and finally the synthesis of 2-butyl-3- (3', 5-diiodine-4-hydroxybenzoyl) -benzofuran is achieved.
Third, a stepwise splicing strategy can also be adopted. First, the butyl-containing benzofuran fragment and the 3 ', 5-diiodine-4-hydroxybenzoyl fragment are synthesized respectively, and then the coupling reaction between the two occurs with the help of suitable ligation reactions, such as under the catalysis of transition metals, to construct a complete target molecular structure. In the specific implementation process, it is necessary to precisely control according to various reaction conditions, such as temperature, reaction time, and proportion of reactants, to ensure that the synthesis route is efficient and the yield is considerable.
What are the precautions for using 2-butyl-3- (3 ', 5-diiodo-4-hydroxybensoyl) -benzofuran?
2 - butyl - 3 - (3 ', 5 - diiodo - 4 - hydroxybensoyl) - benzofuran is a special organic compound. During use, many precautions need to be paid attention to in detail.
Bearing the brunt, this substance has specific chemical activity, and when it encounters strong oxidizing agents, strong acids or strong bases, it is afraid of violent chemical reactions. If it encounters strong oxidizing agents, it may cause the risk of combustion or even explosion, so it must be separated from such substances and stored separately to ensure safety.
Furthermore, it may be potentially harmful to the human body. Or invade the human body through inhalation, skin contact or accidental ingestion. If inhaled, it can cause respiratory discomfort, such as cough, asthma, etc.; skin contact, or cause allergies, redness and swelling, etc. When using, be sure to be fully armed, wear protective clothing, protective gloves, and a protective mask on your face to prevent it from coming into contact with the body.
In addition, due to its chemical properties, storage conditions are also critical. It should be placed in a cool, dry and well-ventilated place, away from fire and heat sources. Due to excessive temperature and humidity, it may affect its stability and cause deterioration.
At the same time, the place where this compound is used should be equipped with perfect ventilation equipment to disperse the volatile gases that may escape, reduce its concentration in the air, and avoid damage to the user's health. After use, the remaining materials and waste must not be discarded at will, and must be properly disposed of in accordance with relevant regulations to prevent pollution to the environment.
When using the compound, accurate operation should not be ignored. When using accurate measuring tools, according to the amount required for experiment or production, do not take too much abuse, not only to avoid waste, but also to avoid accidents caused by excessive use.
In general, when using 2-butyl-3- (3 ', 5-diiodo-4-hydroxybensoyl) -benzofuran, be sure to be careful of the above things to ensure the smooth use process, avoid accidents, and protect the safety of people and the environment.