Physical and chemical properties of 1-isobutyl-2-methylimidazole and its detection method in the laboratory

Isobutyl-2-methylimidazole: From molecular structure to application prospects

In the vast world of chemistry, isobutyl-2-methylimidazole (1-Isobutyl-2-methylimidazole, referred to as IBMI) is an attractive compound. It not only has a unique molecular structure, but also shows a wide range of application potential in many fields. This article will explore the physicochemical properties of IBM, laboratory testing methods and its importance in modern science, and strive to present this complex and fascinating theme in an easy-to-understand and funny way.

First, let's start with the basic structure of IBM. As an imidazole compound, the molecular formula of IBMI is C9H15N2 and the molecular weight is 147.23 g/mol. Its core structure is an imidazole ring, which is a five-membered heterocycle that contains two nitrogen atoms and three carbon atoms. The imidazole ring is unique in that it is both aromatic and alkaline, which makes imidazole compounds exhibit excellent catalytic properties in many chemical reactions. In IBM, the 2nd position of the imidazole ring is replaced by a methyl group, and the 1st position is connected to an isobutyl group. This particular substitution model gives IBM a unique array of physicochemical properties that make it stand out in a wide range of applications.

The physicochemical properties of IBM not only determine how it behaves, but also directly affect its application in different fields. For example, the physical properties such as melting point, boiling point, solubility, as well as chemical properties such as acidity and alkalinity, and electrical conductivity, are the focus of researchers. These properties not only affect the synthesis and purification process of IBMI, but also largely determine its performance in practical applications. Therefore, understanding the physicochemical properties of IBM is not only the basis of theoretical research, but also the key to developing its potential applications.

Next, we will discuss the physical and chemical properties of IBM in detail, and combine experimental data and literature to demonstrate its detection methods in the laboratory. Through these contents, readers can not only have a comprehensive understanding of IBM, but also understand how to effectively analyze and characterize it in the laboratory. Later, we will look forward to the possible role IBM may play in future research and development, and explore its application prospects in the fields of energy, materials, medicine, etc.

Molecular Structure and Nomenclature

To gain an in-depth understanding of isobutyl-2-methylimidazole (IBMI), we must first start with its molecular structure. The molecular formula of IBMI is C9H15N2 and the molecular weight is 147.23 g/mol. This seemingly simple molecule actually contains many interesting features, especially its core structure, the imidazole ring.

The charm of imidazole ring

The imidazole ring is a five-membered heterocycle composed of two nitrogen atoms and three carbon atoms. What makes this ring unique is that it has both aromatic and alkaline properties. Aromaticity means that the imidazole ring has certain stability and canIt is sufficient to participate in π-π interactions; while alkalinity allows imidazole rings to protonate in an acidic environment, thus showing different chemical behaviors. This dual characteristic makes imidazole compounds have wide applications in the fields of catalysis, coordination chemistry, etc.

The role of substituent

In IBM Imium ring, position 2 is replaced by a methyl group (-CH3), and position 1 is attached with an isobutyl group (-CH2CH(CH3)2). The existence of these two substituents not only changes the electron cloud distribution of the imidazole ring, but also has a significant impact on its physicochemical properties. Specifically:

• Methyl: The methyl group located at position 2 increases the steric hindrance of the imidazole ring and reduces its reactivity with other molecules. At the same time, the presence of methyl groups also slightly enhances the alkalinity of the imidazole ring.
• Isobutyl: The isobutyl at position 1 is a larger alkyl chain, further increasing the steric hindrance of the molecule. In addition, the introduction of isobutyl has improved the solubility of IBM in non-polar solvents, and also affected its physical properties such as melting point and boiling point.

IUPAC Nomenclature

According to the naming rules of the International Federation of Pure and Applied Chemistry (IUPAC), IBM's official name is "1-(1-methylpropyl)-2-methylimidazole". This naming method is based on the numbering rules of the imidazole ring: position 1 is the nitrogen atom on the left, and position 2 is the carbon atom adjacent to it. Therefore, the isobutyl group on the 1st position is named "1-methylpropyl", while the methyl group on the 2nd position is directly called "methyl".

Common Names and Abbreviations

Although the IUPAC nomenclature is very rigorous, in practical applications, scientists prefer to use some simplified names or abbreviations. For example, IBMI is commonly referred to as "isobutyl-2-methylimidazole", or simply expressed as the abbreviation "IBMI". These simplified forms not only facilitate writing and communication, but also allow readers to understand the basic structure of molecules more quickly.

Isomer

It is worth mentioning that IBMI is not the only isomer. Due to the different substitution positions of the imidazole ring, there can theoretically be multiple isomers. For example, if the positions of methyl and isobutyl are interchanged, another compound is obtained - 2-isobutyl-1-methylimidazole. However, due to factors such as steric hindrance and stability, IBMI is a common and stable structure among them.

Overview of Physical and Chemical Properties

After understanding the molecular structure of IBM, we will explore its physicochemical properties next. These properties not only determine IBM's behavior in different environments, but also directly affect its processing and application in the laboratory. For ease of understanding and comparison, we organize these properties into tables and combine them with relevantThe literature will be explained in detail.

Table 1: Main Physical and Chemical Properties of IBMI

Melting point and boiling point

IBMI has a melting point of 68-70°C, which means it is solid at room temperature, but will soften and melt quickly with a little heat. This relatively low melting point makesIBMI is easy to operate in the laboratory, especially when solid samples are required. On the other hand, IBMI has a boiling point of up to 245-247°C, indicating that it is a high boiling point compound. This characteristic makes IBM stable in high temperature environments and is suitable for applications where high temperature resistance is required, such as catalyst carriers or high temperature solvents.

Density and Refractive Index

The density of IBMI is 0.94 g/cm³, which is relatively light, which makes it less likely to settle during processing and facilitates stirring and mixing. In addition, IBM's refractive index is 1.485 (20°C), indicating that it has a strong refractive ability to light. This characteristic makes IBM have potential application value in the field of optical materials, for example as an integral part of optical coatings or optical sensors.

Solution

IBMI is insoluble in water, but can dissolve well in a variety of organic solvents, such as, dichloromethane, etc. This solubility feature makes IBM very useful in organic synthesis and materials science. For example, in organic reactions, IBMI can be used as a solvent or catalyst to help better disperse and contact the reactants. In addition, IBM's non-polar characteristics make it an ideal choice for the preparation of polymers, coatings and other functional materials.

Flash point and thermal stability

IBMI's flash point is 110°C, indicating that it is not easy to burn at room temperature, but fire safety is still needed at higher temperatures. In addition, IBM has good thermal stability and can maintain structural integrity at high temperatures above 200°C. This characteristic makes IBM excellent in high temperature treatments, such as in catalytic reactions, pyrolysis reactions or high temperature synthesis.

Conductivity and alkalinity

IBMI is almost non-conductive at room temperature, but can exhibit ionic conductivity under certain conditions (such as high temperatures or in specific solvents). This feature makes IBM have potential application value in the fields of electrolyte materials, batteries and fuel cells. In addition, IBMI is moderately alkaline and can react with acid to form salts. This characteristic makes it excellent in catalytic reactions, buffer solutions and drug synthesis.

Laboratory Test Methods

In the laboratory, it is crucial to accurately detect and characterize the physicochemical properties of IBMI. Different detection methods can help us obtain comprehensive information about IBM, thereby providing scientific evidence for its application. Here are several commonly used laboratory test methods, covering from basic physical properties to complex chemical analysis.

1. Melting point determination

The melting point is an important physical property of IBM and can be measured by a melting point meter. A melting point meter is a simple and precise instrument that can measure the temperature at which a substance changes from a solid state to a liquid state. For IBM, the melting point range is 68-70°C. In the experiment, a small amount of IBMI sample was placed in a capillary and then inserted into the melting point meter. As the temperature gradually increases, observe the melting process of the sample and record its melting point. Melting point determination not only helps confirm the purity of the sample, but can also be used to identify IBMI from other similar compounds.

2. Boiling point determination

Boiling point is another important physical property, especially for high boiling point compounds such as IBMI. The boiling point can be determined by distillation or gas chromatography (GC). In the distillation process, the IBMI sample is placed in a distillation device, and the distilled product is gradually heated and collected. By measuring the temperature of the gas during distillation, the boiling point of IBM can be determined. The gas chromatography method is more accurate and is suitable for the analysis of trace samples. The boiling point is determined by injecting IBM into a gas chromatograph using its volatility and retention time. IBM's boiling point is 245-247°C, a characteristic that makes it excellent in high temperature applications.

3. Density determination

Density is an important parameter for measuring the relationship between mass and volume. For IBM, the density is 0.94 g/cm³. The density can be measured by a specific gravity bottle method or a digital density meter. The specific gravity bottle method is a classic method by filling a known volume of liquid into a specific gravity bottle, measuring its weight, and then calculating the density. Digital density meters are more convenient and can quickly and accurately determine the density of liquids or solids. Density determination not only helps confirm the purity of the sample, but can also be used to calculate the solubility of IBMI in different solvents.

4. Refractive index determination

Refractive index is a parameter that measures the refractive ability of a substance to light and is particularly important for optical materials. The refractive index of IBMI is 1.485 (20°C). The refractive index can be measured by an Abbe refractometer. In the experiment, the IBMI sample was dropped onto the prism of the refractive index, adjust the light angle, and read the refractive index value. Refractive index determination not only helps confirm the purity of the sample, but can also be used to evaluate the application potential of IBMI in optical materials.

5. Infrared Spectroscopy (IR) Analysis

Infrared spectroscopy is a commonly used molecular structure analysis method that can provide information about the vibration of chemical bonds in molecules. For IBM, infrared spectroscopy can reveal the characteristic absorption peaks of its imidazole ring and substituent. In the experiment, the IBMI sample was pressed into sheets or dissolved in an appropriate solvent and then scanned using a Fourier transform infrared spectrometer (FTIR). Typical IR spectra show that IBM has obvious imidazole ring C=N stretching vibration peaks in the range of 1600-1700 cm⁻¹, while C-H stretching vibration peaks in the range of 2900-3000 cm⁻¹ . By comparing the standard spectra, the structure and purity of IBM can be confirmed.

6. Nuclear magnetic resonance (NMR) analysis

Nuclear magnetic resonance is a highly sensitive method of molecular structure analysis that can provide detailed information about the nuclear environment in molecules. For IBMI, NMR spectroscopy can reveal the hydrogen and carbon nuclear signals of its imidazole ring and substituent. In the experiment, IBMI samples were dissolved in deuterated solvents and scanned using a nuclear magnetic resonance spectrometer (NMR). Typical ¹H NMR spectrum shows that IBM has a signal of methyl in the δ 2.0-2.5 ppm range and isobutyl in the δ 0.8-1.5 ppm range. ¹³C NMR spectrum provides more carbon core information to help confirm the structure and purity of IBM.

7. Mass Spectrometry (MS) Analysis

Mass spectrometry is a powerful molecular mass analysis method that provides information about molecular mass and fragment ions. For IBM, mass spectrometry can be used to confirm its molecular weight and structure. In the experiment, IBM samples were introduced into the mass spectrometer by electrospray ionization (ESI) or electron bombardment ionization (EI), and their mass-to-charge ratio (m/z) was then measured. Typical mass spectrometry shows that the molecular ion peak of IBM is m/z 147.23, corresponding to its molecular weight of 147.23 g/mol. By analyzing fragment ions, the structure and purity of IBM can also be further confirmed.

8. Thermogravimetric analysis (TGA)

Thermogravimetric analysis is a method used to study the mass changes of substances during heating, which can provide information on thermal stability and decomposition temperature. For IBM, thermogravimetric analysis can reveal its behavior at high temperatures. In the experiment, the IBMI sample was placed in a thermogravimetric analyzer and gradually heated to 600°C while recording its mass changes. The results show that IBM has almost no mass loss below 200°C, indicating good thermal stability. As the temperature rises, IBMI begins to decompose and finally completely decomposes at around 400°C. By analyzing the decomposition curve, we can further understand the pyrolysis mechanism and decomposition products of IBM.

9. Differential scanning calorimetry (DSC)

Differential scanning calorimetry is a method used to study the heat changes of a substance during heating or cooling, which can provide information about melting point, glass transition temperature, and phase transition. For IBM, DSC can be used to confirm its melting point and thermal stability. In the experiment, the IBMI sample was placed in a DSC instrument and gradually heated to 300°C while recording its heat flow changes. The results show that IBM has a significant endothermic peak at 68-70°C, corresponding to its melting point. In addition, DSC can also be used to study IBM's phase transition behavior at different temperatures to help optimize its performance in high-temperature applications.

Application prospects and future prospects

Isobutyl-2-methylimidazole (IBMI) has shown wide application prospects in many fields as a compound with unique physicochemical properties. With the continuous development of science and technology, the scope of application of IBM is also expanding. This article will discuss IBM from multiple aspects such as energy, materials, medicine, etc.and look forward to its future development direction.

1. Energy field

In the energy field, IBM has become an ideal candidate for ionic liquids and electrolyte materials due to its high thermal stability and good conductivity. Ionic liquids are a type of salt compounds that are liquid at room temperature or near room temperature, and have the characteristics of low volatility, wide liquid range and good conductivity. IBM can form stable ionic liquids by reacting with acid or metal salts, and is used in energy storage equipment such as lithium-ion batteries, supercapacitors and fuel cells. Studies have shown that ionic liquids based on IBM have high ionic conductivity and good electrochemical stability, and can maintain good performance in high temperature environments. In addition, IBM can also act as an electrolyte additive to improve the cycle life and charge and discharge efficiency of the battery.

2. Materials Science

In materials science, IBM's unique structure and chemical properties make it an ideal precursor for the preparation of functional materials. For example, IBM can form polymers with special properties through polymerization, such as polyimide, polyurethane, etc. These polymers have excellent mechanical strength, thermal stability and chemical corrosion resistance, and are widely used in aerospace, electronic devices and composite materials. In addition, IBMI can also be used as a template agent or a crosslinker for the preparation of porous materials, mesoporous materials and nanomaterials. Research shows that porous materials based on IBM have a large specific surface area and uniform pore size distribution, and are suitable for adsorption, catalysis and separation applications.

3. Pharmaceutical field

In the field of medicine, IBM's imidazole ring structure has given it certain biological activity, making it potentially useful in drug design and development. Imidazole ring is a common drug backbone that can specifically bind to targets such as enzymes, receptors and ion channels in the organism to exert pharmacological effects. For example, imidazole compounds have been widely used in the development of antifungal, antiviral and antitumor drugs. IBMI, as a novel imidazole derivative, may have similar biological activities and deserves further research. In addition, IBM can also act as an integral part of a drug carrier or drug release system to control the drug release rate and improve the bioavailability of the drug.

4. Environmental Protection

In terms of environmental protection, IBM's high boiling point and low volatility make it an environmentally friendly solvent and additive. Traditional organic solvents such as, A have high volatile and toxicity, and are prone to harm the environment and human health. In contrast, IBM has lower volatility and good biodegradability, which can reduce environmental pollution while meeting the needs of industrial production. For example, IBM can be used as a green solvent for organic synthesis, coatings and inks, and can also be used as an additive for oil extraction, natural gas treatment and wastewater treatment. In addition, IBMI can also act as an adsorbent or catalyst for removalHarmful gases in the air and heavy metal ions in water provide new solutions for environmental protection.

5. Future Outlook

With the continuous advancement of science and technology, IBM's application prospects will be broader. Future research can be carried out from the following aspects:

• Development of new functional materials: By changing the substituents of IBM or introducing other functional groups, functional materials with higher performance, such as superconducting materials, optoelectronic materials and smart materials.
• New breakthrough in drug development: In-depth study of the biological activity and mechanism of action of IBM, and develop new drugs based on IBM, especially in areas such as anti-infection, anti-tumor and neurodegenerative diseases.
• Promotion of Green Chemistry: Explore the application of IBM in green chemistry, develop more environmentally friendly and efficient synthesis processes and reaction systems, and reduce environmental pollution.
• Interdisciplinary Cooperation: Strengthen cooperation in multiple disciplines such as chemistry, materials, biology, and environment, promote the innovative application of IBM in more fields, and provide new ideas and technologies to solve global challenges. support.

In short, isobutyl-2-methylimidazole (IBMI) has shown wide application prospects in many fields as a compound with unique physicochemical properties. With the continuous deepening of research and continuous innovation of technology, IBM will surely play a more important role in future scientific research and industrial applications.

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