Qiji Chemical
Products

Methyl 2 Bromooctanoate

Qiji Chemical

Specifications

HS Code

558844

Name Methyl 2 - Bromooctanoate
Molecular Formula C9H17BrO2
Molar Mass 223.134 g/mol
Appearance Colorless to light - yellow liquid
Density 1.189 g/cm³ (approximate)
Boiling Point 225 - 227 °C
Solubility Slightly soluble in water, soluble in organic solvents like ethanol, ether
Flash Point 96.1 °C (closed cup, approximate)
Refractive Index 1.454 - 1.456 (approximate)
Packing & Storage
Packing 100 - gram vial of Methyl 2 - Bromooctanoate, securely sealed for chemical storage.
Storage Methyl 2 - Bromooctanoate should be stored in a cool, dry, well - ventilated area away from heat sources and ignition sources. It is a flammable and potentially hazardous chemical. Keep it in a tightly sealed container to prevent leakage and exposure to air and moisture, which could cause degradation or reaction. Store it separately from incompatible substances like oxidizing agents.
Shipping Methyl 2 - Bromooctanoate, a chemical, should be shipped in tightly sealed, corrosion - resistant containers. It must comply with hazardous material regulations, with proper labeling for safe and compliant transportation.
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General Information
Frequently Asked Questions
What is the chemical structure of Methyl 2 Bromooctanoate?
Methyl 2 - Bromooctanoate is also an organic compound. Its chemical structure can be regarded as the carboxyl group (-COOH) of octanoic acid (Octanoic acid) and methanol (Methanol) are esterified to form an ester group (-COOCH 🥰), and the hydrogen atom is replaced by a bromine atom (-Br) on the carbon atom at position 2.
The structure of octanoic acid is CH <

. When esterified with methanol, the hydroxyl group of methanol (-OH) and the hydroxyl group of the octanoic acid carboxyl group undergo dehydration and condensation to form an ester bond (-COO-), which is obtained CH < unk > (CH < unk >) < COOCH <. At this time, on the carbon atom at position 2, the original hydrogen atom is replaced by the bromine atom, and finally forms Methyl 2-Bromooctanoate, which has a chemical structure of CH < unk > (CH < unk >) < unk > CH (Br) COOCH < unk >. In the structure of this compound, there are both long-chain alkyl groups, which give it a certain lipid solubility; and bromine atoms and ester groups, which make the compound have specific chemical activities and can participate in many organic reactions, such as nucleophilic substitution reactions, which are quite useful in the field of organic synthesis.
What are the main uses of Methyl 2 Bromooctanoate?
Methyl 2-bromooctanoate has a wide range of uses. In the field of organic synthesis, it is often used as a key intermediate. Because of the active chemistry of bromine atoms in its structure, it can initiate many nucleophilic substitution reactions. In this way, a series of organic compounds with special structures and properties can be prepared, such as various esters, alcohols, amines and other derivatives, which are particularly important in the preparation of fine chemicals.
Furthermore, in the field of medicinal chemistry, or involved in drug research and development. Using it as a starting material, a molecular structure with biological activity can be constructed through multi-step reactions, laying the foundation for the creation of new drugs. Medicinal chemists can search for lead compounds with better pharmacological activity and lower toxic and side effects by modifying and modifying their structures, and then promote the research and development process of new drugs.
In the field of materials science, methyl 2-bromooctanoate also has its uses. It can be introduced into the main chain or side chain of polymer materials through specific polymerization reactions to give materials special properties, such as improving material solubility, thermal stability, surface properties, etc., which are indispensable for the development of new functional materials.
In addition, in the fragrance industry, it may be a raw material for the synthesis of certain compounds with unique aromas. After clever chemical reactions, it is converted into substances that emit pleasant aromas, and added to perfumes, flavors and other products to enhance its fragrance quality and uniqueness.
What are the physical properties of Methyl 2 Bromooctanoate?
Methyl 2-bromooctanoate, this is an organic compound. It has specific physical properties, let me tell you one by one.
Under normal temperature and pressure, it often takes the form of a colorless to light yellow liquid with a clear appearance. This compound has a certain odor, but the specific odor description, your mileage may vary, and accurate instrument measurement is required to determine.
As for the boiling point, it is about 124-126 ° C/1.33kPa. Under this condition, the substance changes from liquid to gaseous. The melting point data is difficult to accurately state due to specific conditions and impurities, but it is usually relatively low temperature. < Br >
In terms of solubility, it is difficult to dissolve in water, which is due to the characteristics of its molecular structure, and the interaction between water molecules is weak. However, in organic solvents, such as ethanol, ether, chloroform, etc., it has good solubility, because it can form suitable forces between molecules and organic solvent molecules, such as van der Waals force, so that the two are fused.
Density is also an important physical property, roughly within a certain range, but different measurement conditions may cause slight differences, about a certain value, indicating the mass of the substance per unit volume, reflecting its compactness.
Refractive index cannot be ignored, which is the reflection of the refractive characteristics of light passing through the substance, and can be used for purity detection. Under specific conditions, there are corresponding refractive index values, which can help us judge the purity and characteristics of substances.
Many physical properties of methyl 2-bromooctanoate are of great significance in organic synthesis, chemical production and other fields, providing a basic basis for related operations and research.
What are the synthesis methods of Methyl 2 Bromooctanoate
Methyl 2-bromoctanoate can be prepared according to the following ancient methods.
First, octanoate is used as the starting material. Take an appropriate amount of octanoate first, add an appropriate amount of catalyst, such as sulfuric acid, to the reaction kettle, to promote the reaction. Then slowly add a brominating agent dropwise, commonly used as hydrogen bromide or phosphorus tribromide. During the reaction, the temperature needs to be strictly controlled, generally maintained in a moderate temperature range, such as 40-60 degrees Celsius. The carboxyl group of octanoic acid reacts with the brominating agent, and the hydroxyl group of octanoic acid is replaced by a bromine atom to generate 2-bromooctanoic acid. Subsequently, 2-bromooctanoic acid is mixed with methanol, and a catalyst, such as p-toluenesulfonic acid, is added under the condition of heated reflux to carry out an esterification reaction. In this process, the carboxyl group of 2-bromooctanoic acid and the hydroxyl group of methanol are dehydrated and condensed to form methyl 2-bromooctanoic acid ester. After the reaction is completed, it is distilled, extracted, dried, etc. to obtain a pure product.
Second, 2-octanol is used as the starting material. The 2-octanol is first reacted with a suitable oxidant, such as a potassium dichromate-sulfuric acid solution, to oxidize it to octanoic acid. The next step is the same as that of the octanoic acid as the raw material, which is first brominated to produce 2-bromooctanoic acid, and then esterified with methanol to obtain methyl 2-bromooctanoate.
Or, diethyl malonate and bromohexane are used as raw materials. Under the action of basic reagents such as sodium alcohol, diethyl malonate generates carbon negative ions, which undergo nucleophilic substitution reaction with bromohexane to increase the carbon chain. Subsequent steps such as hydrolysis and decarboxylation to obtain octanoic acid, and then brominated and esterified according to the above method to obtain methyl 2-bromooctanoate. Each method has its own advantages and disadvantages. In actual preparation, the choice should be based on factors such as the availability of raw materials, cost, and reaction conditions.
Methyl 2 Bromooctanoate in Storage and Transportation
Methyl-2-bromooctanoate is an organic compound. When storing and transporting, the following points should be paid more attention to:
First, it is related to storage conditions. Due to its nature or instability, it should be stored in a cool, dry and well-ventilated place. Keep away from fire and heat sources to prevent it from volatilizing or triggering chemical reactions due to excessive temperature. If placed in a humid environment, it may be hydrolyzed by moisture, so be sure to ensure that the storage environment is dry. This compound is sensitive to light, and light may cause it to decompose, so it should be stored in a brown bottle to avoid light.
Second, caution is also required in transportation. Make sure the container is sealed during transportation to prevent leakage. Because of its certain toxicity and corrosiveness, if it leaks, it will not only pollute the environment, but also endanger the safety of personnel. During the handling process, light loading and unloading are required to avoid collisions and friction to prevent damage to the container. At the same time, the transport vehicle should be equipped with corresponding fire equipment and leakage emergency treatment equipment for emergencies.
Furthermore, personnel operation requirements should not be underestimated. Whether it is storage or transportation, operators need to undergo special training and strictly abide by the operating procedures. Wear suitable protective equipment when working, such as gas masks, protective gloves, protective clothing, etc., to avoid direct contact and inhalation.
Finally, label identification is essential. Storage containers and transportation vehicles should be clearly marked with their names, properties, hazards and other information, so that relevant personnel can identify and deal with latent risks. In this way, the safety of methyl-2-bromooctanoate during storage and transportation can be ensured.