Shaanxi BLOOM Tech Co., Ltd. is one of the most experienced manufacturers and suppliers of methyl 2-furoate cas 611-13-2 in China. Welcome to wholesale bulk high quality methyl 2-furoate cas 611-13-2 for sale here from our factory. Good service and reasonable price are available.
The chemical name for methyl 2-furoate is methyl 2-furanic acid, also known as methyl pyrophosphate. It appears as a light yellow to orange transparent liquid, containing fruity and mushroom aromas. The molecular formula is C6H6O3 and CAS 611-13-2. Its molecular structure contains a furan ring and an ester group, and it is an organic compound. Soluble in ether and ethanol, insoluble in water. It is one of the important derivatives of furan ring compounds, with a carbon based active center. Carbonyl groups have high reactivity and polarity, and due to the presence of furan rings and aldehyde groups in the molecule, they are prone to undergo reactions such as furfural hydrogenation, oxidation, reductive amination, and decarbonization. It is usually one of the important fine chemical products derived from biomass conversion, which has attracted widespread attention in the field of biomass conversion. It is an extremely important new type of synthetic essence, which is widely used in food essence, tobacco essence, cosmetics essence and other industries. At the same time, it is also an important chemical raw material and intermediate, which can be used as an anti knock agent for gasoline, improve gasoline quality, and have anti-tumor activity.
|
|
|
|
Chemical Formula |
C6H6O3 |
|
Exact Mass |
126 |
|
Molecular Weight |
126C, 57.14; H, 4.80; O, 38.06 |
|
m/z |
126 (100.0%), 127 (6.5%) |
|
Elemental Analysis |
C, 57.14; H, 4.80; O, 38.06 |
Methyl 2-furoate is an organic compound containing a furan ring, with a unique fruity aroma and wide industrial application value.
Spice Industry: Natural Flavor Enhancers for Food and Cosmetics
Food essence:
It is an important food grade spice widely used to blend the aroma of chocolate, coffee, nuts (such as roasted hazelnuts and peanuts), fruits (such as cranberries, guava, raisins), and baked goods. Its addition amount is usually 0.1-10 ppm, which can significantly enhance the flavor hierarchy of the product. For example, the dosage is 0.06-1.3 mg/kg in cold drinks, 0.66 mg/kg in candies, and 1.0-1.3 mg/kg in baked goods.
Tobacco essence:
As a tobacco additive, it can simulate the natural aroma of tobacco leaves, improve the smoking taste, and reduce irritation.
Cosmetic essence:
It is used to mix the aroma of perfume, skin care products and shampoo. Its fruity aroma and mushroom like aroma combine to give the product a fresh and natural olfactory experience.
Pharmaceutical field: Potential intermediates for anti-tumor drugs
Drug development:
Its furan ring structure has biological activity and can be used as an intermediate for the synthesis of anti-tumor drugs. Research has shown that its derivatives can exert anti-cancer effects by inhibiting tumor cell proliferation or inducing apoptosis, and are currently in the laboratory research stage.
Pharmaceutical intermediates:
As an intermediate of heterocyclic compounds, it participates in the synthesis of antibiotics, antiviral drugs, and neurological drugs. For example, nitrogen-containing heterocyclic drug precursors can be prepared through reductive amination reactions.
Fuel sector: 'Green alternatives' to biomass energy
Biomass fuel:
Methyl 2-furoate can be produced through biomass conversion (such as catalytic oxidation of furfural) and belongs to the second generation of biofuels. Its combustion performance is similar to diesel, which can reduce greenhouse gas emissions and meet environmental policy requirements.
Internal combustion engine applications:
Directly used as a fuel additive or alternative fuel, suitable for diesel engines, especially for scenarios with strict emission requirements (such as urban buses and logistics vehicles).
Other fields: Cross industry 'invisible assistants'
Analytical chemistry:
Used as a derivatization reagent for liquid chromatography and mass spectrometry to improve the detection sensitivity of target compounds.
Agriculture:
As an intermediate of plant growth regulators, it participates in the synthesis of hormone substances to promote crop growth.
Materials Science:
Used for preparing polyfuran ester polymer materials to enhance their heat resistance and mechanical strength.
Chemical raw materials: multifunctional solvents and additives
Organic synthetic solvents:
It can dissolve various organic compounds, including chloroform, methanol, and some ethers, and is commonly used as a solvent for esterification, oxidation, and other reactions. Its slight solubility in water gives it an advantage in two-phase reactions.
Gasoline anti knock agent:
As a furan based biomass fuel additive, it can improve the octane rating of gasoline and reduce engine knock. Its physical and chemical properties are similar to gasoline and can be directly applied to internal combustion engines.
Gas chromatography standard substance:
Methyl 2-furanate with a purity of ≥ 99.0% is used as a calibration reagent in analytical chemistry to ensure the accuracy of detection results.
Specific Method:
Furfural, as an important biobased chemical, has significant implications for promoting sustainable development through its conversion and utilization. Methyl 2-furoate, as an important derivative of furfural, has broad application prospects in the fields of medicine, fragrance, organic synthesis, etc. Traditional preparation methods often involve high temperature and high pressure conditions or the use of toxic and harmful catalysts, which not only increases production costs but also burdens the environment. Therefore, it is particularly important to develop a mild, efficient, and environmentally friendly method for preparing MF.
experimental design
1.1 Selection and Proportions of Reactants
This experiment selected furfural as the starting material, methanol as one of the solvents and reactants, N-hydroxyphthalimide (NHPI) as the precursor for green oxidation catalyst, and 30% hydrogen peroxide solution as the oxidant. This combination not only avoids the use of toxic heavy metal catalysts, but also reduces the generation of by-products, in line with the principles of green chemistry.
(1) Furfural:
As the starting substrate for the reaction, its purity directly affects the quality and yield of the final product. The purity of furfural used in this experiment needs to reach over 98% to ensure the accuracy and reliability of the experiment.
(2) Methanol:
As a solvent, it not only dissolves furfural and catalyst, but also participates in the oxidation reaction to generate the target product methyl 2-furanate. Excessive use of methanol can improve the solubility and reaction efficiency of furfural, but excessive methanol can also increase the difficulty of subsequent separation and purification. Therefore, the molar ratio of methanol to furfural was chosen as 210:1 in this experiment to achieve the best reaction effect.
(3) N-Hydroxyphthalimide (NHPI):
As an efficient precursor for free radical catalysts, NHPI can generate highly active oxygen radicals in the presence of hydrogen peroxide, thereby initiating the oxidation reaction of furfural. Its dosage needs to be precisely controlled to avoid waste and unnecessary by-products. In this experiment, the dosage of NHPI was 0.059 mmol, with a molar ratio of approximately 1:17 to furfural.
(4) 30% hydrogen peroxide aqueous solution:
As an oxidant, hydrogen peroxide can gently oxidize furfural under the catalysis of NHPI, generating methyl 2-furanate. The concentration and dosage have a significant impact on the reaction rate and product yield. In this experiment, 4mL of 30% hydrogen peroxide aqueous solution was used to ensure sufficient oxidant participation in the reaction system.
1.2 Experimental apparatus and steps
(1) Experimental setup:
A 50mL round bottom flask is used as the reaction vessel, equipped with a magnetic stirrer to ensure thorough mixing of the reactants. Meanwhile, use a condenser reflux device to prevent solvent evaporation during the reaction process.
(2) Experimental steps:
Firstly, accurately weighed furfural, methanol, and NHPI are sequentially added to a round bottom flask, and a condenser tube is installed. Then, at room temperature and pressure, turn on the magnetic stirrer to thoroughly mix the reactants.
Next, slowly add a 30% hydrogen peroxide aqueous solution dropwise to the reaction system and continue stirring the reaction for 18 hours.
After the reaction is complete, stop stirring and turn off the heating device, allowing the reaction solution to cool naturally to room temperature.
Product separation and purification
2.1 Liquid Liquid Separation
Due to the presence of various substances in the reaction system, including unreacted raw materials, solvents, catalysts and their decomposition products, target products, etc., it is necessary to separate the liquid-phase product containing methyl 2-furanate from other impurities through liquid-liquid separation. Common separation methods include extraction, distillation, etc. In this experiment, considering the volatility of methanol and the solubility of the target product in organic solvents, suitable organic solvents (such as dichloromethane, ethyl acetate, etc.) can be selected to extract the reaction solution. After extraction, the organic phases are combined, dried (using desiccants such as anhydrous sodium sulfate or potassium carbonate), and filtered to remove residual solvents and moisture.
Process optimization and discussion
2.1 Selection of Catalyst Carrier
The properties of the carrier have a significant impact on the dispersibility, stability, and catalytic activity of nano gold. SiO ₂ has become one of the commonly used carriers due to its excellent chemical and thermal stability, but Al ₂ O3 and TiO ₂ may also exhibit higher catalytic efficiency for specific reactions due to their unique surface acidity and alkalinity. Through comparative experiments, it was found that the TiO ₂ - loaded nano gold catalyst exhibited the best catalytic effect for the oxidation of furfural to prepare methyl 2-furanate, which may be related to the abundant oxygen vacancies on the TiO ₂ surface and the appropriate acidity or alkalinity.
2.2 Optimization of catalyst preparation conditions
Nano gold particle size:
Reducing the particle size of nano gold can increase its specific surface area, increase the number of active sites, and thus enhance catalytic activity. However, excessively small particle size may lead to agglomeration, which in turn reduces catalytic efficiency. By adjusting the type and dosage of reducing agents, uniformly distributed nano gold particles can be prepared.
Load capacity:
An appropriate load capacity can balance the activity and stability of the catalyst. Excessive loading may lead to excessive concentration of nano gold particles, reducing the diffusion efficiency of reactant molecules; However, a low load may not be sufficient to provide sufficient active sites.
2.3 Optimization of reaction conditions
Temperature:
Raising the temperature can usually accelerate the reaction rate, but excessively high temperatures may lead to an increase in side reactions and a decrease in the selectivity of the target product. At 140 ℃, the conversion rate of furfural and the selectivity of methyl 2-furanate both reached a high level, indicating the optimal reaction temperature.
Pressure:
Oxygen pressure directly affects the rate of oxidation reaction. Appropriately increasing the oxygen pressure can increase the contact opportunities between oxygen molecules and the catalyst surface, promoting the progress of oxidation reactions. However, excessive pressure may also increase equipment costs and safety risks.
Mixing speed:
Good mixing helps ensure sufficient contact between reactants and catalysts, improving reaction efficiency. However, excessive rotational speed may increase energy consumption and cause safety issues.
2.4 Exploration of Catalytic Mechanism
The process of preparing methyl 2-furanate by catalytic oxidation of furfural using supported nano gold involves multiple steps, including adsorption, oxidation, and desorption of furfural on the catalyst surface. As the active center, the electronic structure and geometric morphology of the surface of nano gold are crucial for its catalytic performance. In an oxygen atmosphere, nano gold can activate oxygen molecules, form highly active oxygen species, and attack unsaturated bonds in furfural molecules, triggering oxidation reactions. At the same time, the acid-base properties of the carrier surface also participate in regulating the reaction pathway, affecting the selectivity of the products.
This article uses furfural as a substrate and achieves efficient preparation through supported nano gold catalysts in methanol solvent and oxygen atmosphere. By optimizing the catalyst support, preparation conditions, and reaction conditions, the conversion rate of furfural was successfully increased to 92.98%, and the selectivity of MF reached 98.72%. This study not only provides a green and efficient preparation method for the industrial production of Methyl 2-furoate, but also provides useful references for the application of supported nano gold catalysts in the field of organic synthesis. Future work can further explore the cyclic performance and regeneration methods of catalysts to reduce production costs and promote the practical application of this technology. At the same time, we will conduct in-depth research on catalytic mechanisms and develop more high-performance catalysts to meet the needs of different reaction systems.
faq
Q:1.What is methyl 2 furoate used for?
Purity: Provides high quality in several uses such as medical, personal, or industrial functions. Uses: It is a well-known ingredient for its usage in flavor and fragrances preparation and composition. Aroma: It has a fruity sweet aroma that is excellent in perfumes and food flavors.
Q:2.What is another name for methyl formate?
Methyl formate, also called methyl methanoate, is the methyl ester of formic acid. It has the chemical formula HCOOCH 3. The simplest example of a carboxylate ester, it is a colourless liquid with an ethereal odour, high vapor pressure, and low surface tension.
Q:3.What is another name for methyl 2 octynoate?
Synonyms: 1-Heptyne-1-carboxylic Acid Methyl Ester. Methyl 1-Heptyne-1-carboxylate.
Q:4.What is the boiling point of methyl 2 furoate?
bp. 181 °C (lit.)
Methyl 2-furoate 98 611-13-2
Hot Tags: methyl 2-furoate cas 611-13-2, suppliers, manufacturers, factory, wholesale, buy, price, bulk, for sale, 2 12 12 dimethyl 12 H spiro cyclohexane 1 6 indeno 1 2 b fluorene 2 yl 4 4 5 5 tetramethyl 1 3 2 dioxaborolane, CAS 1890112 76 1, Iridium III chloride, CAS 1642330 72 0, 2 Chloro 4 pyridinecarboxylic acid, CAS 1637752 63 6