2 Amino 5 Trifluoromethyl Pyridine 3 Carbonitrile
pyridine pyrrole pyrazine piperidine piperazine

2-amino-5-(trifluoromethyl)pyridine-3-carbonitrile

    Specifications

    HS Code

    693162

    Chemical Formula C7H4F3N3
    Molar Mass 187.12 g/mol
    Appearance Solid (usually)
    Color May vary, often off - white to pale colored
    Odor Typically has a characteristic organic odor
    Melting Point Data needed (specific value varies based on purity)
    Boiling Point Data needed (specific value varies based on purity)
    Solubility In Water Low solubility in water
    Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform
    Density Data needed (specific value varies based on form and purity)
    Pka Data needed (related to its acidic - basic properties)

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    General Information
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    Frequently Asked Questions

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    What are the chemical properties of 2-amino-5- (trifluoromethyl) pyridine-3-carbonitrile
    2-Amino-5- (trifluoromethyl) pyridine-3-formonitrile is one of the organic compounds. It has many unique chemical properties.
    Looking at its structure, the existence of the pyridine ring endows it with certain stability and aromaticity. Both amino and formonitrile groups are active functional groups and can participate in various chemical reactions. The nitrogen atom of the amino group has a lone pair of electrons, which is basic and can react with acids to form salts. In the nucleophilic substitution reaction, the amino group can also act as a nucleophilic reagent and react with a suitable electrophilic reagent to introduce new groups. In the
    formonitrile group, the carbon-nitrogen triple bond is electron-rich and has high reactivity. It can be hydrolyzed to form carboxyl groups or reduced to form amine groups, and can also participate in cyclization reactions to construct complex cyclic structures. The introduction of trifluoromethyl groups greatly changes the molecular physical and chemical properties. Trifluoromethyl groups have strong electron-absorbing properties, which can reduce the electron cloud density of pyridine rings and increase the difficulty of electrophilic substitution reactions on the rings. At the same time, the presence of trifluoromethyl groups can improve the lipid solubility of compounds, affecting their absorption, distribution and metabolism in vivo.
    In terms of chemical reactivity, the compound can participate in transition metal catalytic coupling reactions, such as Suzuki coupling, Stille coupling, etc., to construct carbon-carbon bonds and expand the molecular skeleton. Due to its structural properties and diverse reactivity, 2-amino-5- (trifluoromethyl) pyridine-3-formonitrile has shown potential application value in the fields of medicinal chemistry and materials science. In drug development, it may be used as a key intermediate to obtain lead compounds with specific biological activities through structural modification. In the field of materials, it may be used to prepare functional materials with special optical and electrical properties.
    What are the main uses of 2-amino-5- (trifluoromethyl) pyridine-3-carbonitrile
    2-Amino-5- (trifluoromethyl) pyridine-3-carbonitrile, Chinese name 2-amino-5- (trifluoromethyl) pyridine-3-formonitrile, this substance has a wide range of uses in the field of organic synthesis.
    First, it is often used as a key intermediate in the creation of medicine. The structure of geine pyridine and trifluoromethyl gives it unique biological activity and pharmacokinetic properties. Based on this, many molecular architectures with specific pharmacological activities can be constructed, such as small molecule inhibitors targeting specific disease targets. By modifying its surrounding groups, the interaction between the compound and the target can be precisely adjusted, so as to develop innovative drugs with better curative effect and less side effects.
    Second, in the field of pesticide research and development, it also plays an important role. Fluoropyridine compounds often exhibit excellent biological activity against pests and pathogens. This compound can be chemically converted to prepare high-efficiency insecticides and fungicides. With the strong electronegativity and stability of trifluoromethyl, the prepared pesticide can penetrate the body surface of pests or the cell wall of pathogens more efficiently, improve the efficacy, and degrade more reasonably in the environment, reducing the harm to the environment.
    Third, in the field of materials science, it can be used as a raw material for the construction of special functional materials. Its special structure can introduce unique optoelectronic properties to the material. For example, integrating it into the organic optoelectronic material system is expected to improve the charge transport performance, light absorption and emission characteristics of the material, and provide new opportunities for the development of optoelectronic devices such as organic Light Emitting Diode (OLED) and solar cells. After rational molecular design and material assembly, new optoelectronic device materials with better performance may be prepared.
    What are the synthesis methods of 2-amino-5- (trifluoromethyl) pyridine-3-carbonitrile
    For the preparation of 2-amino-5- (trifluoromethyl) pyridine-3-formonitrile, chemists have developed several paths through the ages. First, using the compound containing the pyridine structure as the starting material, through the halogenation reaction, the halogen atom is introduced at a specific position in the pyridine ring, and then the nucleophilic substitution reaction occurs with the trifluoromethyl reagent to connect the trifluoromethyl. Then the cyanylation reagent acts with it to introduce the cyanide group, and finally the amination step is used to obtain the target product. The reaction conditions of each step of this path need to be carefully regulated. The reaction temperature, the type and dosage of halogenating agent need to be considered during halogenation. The reagent activity and reaction solvent should be considered during nucleophilic substitution. The same is true for cyanylation and aminylation. If there is a slight difference, the yield and purity will be affected.
    Second, a suitable heterocyclic compound is used as the starting material to construct a pyridine ring through a multi-step cyclization reaction. First, fluorine-containing reagents are involved in the reaction, trifluoromethyl groups are introduced, and then amino and cyanyl groups are introduced in the cyclization process or after cyclization. This approach requires in-depth insight into the mechanism of the cyclization reaction, ingenious design of the reaction sequence and conditions, due to the complex cyclization reaction, side reactions are easy to produce, and careful screening of the proportion of reactants, catalysts and reaction time is required to improve the selectivity and yield of the target product.
    Third, the coupling reaction catalyzed by transition metals. Select an appropriate halogenated pyridine derivative and couple it with a trifluoromethyl source under the action of a transition metal catalyst to construct a pyridine intermediate containing trifluoromethyl. Then, with the help of metal catalysis or other classical organic reactions, amino and cyano groups are introduced respectively. This method relies on the activity and selectivity of transition metal catalysts, while paying attention to factors such as ligand selection, reaction system pH and temperature, so that the reaction can be carried out efficiently and accurately to obtain high-purity 2-amino-5- (trifluoromethyl) pyridine-3-formonitrile.
    What are the precautions for 2-amino-5- (trifluoromethyl) pyridine-3-carbonitrile in storage and transportation?
    2-Amino-5- (trifluoromethyl) pyridine-3-formonitrile, this is a chemical substance. During storage and transportation, there are many things to pay attention to.
    Bear the brunt, when storing, be sure to ensure that the environment is dry. Because of its certain chemical activity, it may cause chemical reactions and cause deterioration in contact with water or moisture. Therefore, a dry and well-ventilated place should be selected, away from water sources and places with high humidity.
    Furthermore, temperature is also critical. It needs to be stored in a suitable temperature range. If the temperature is too high, it may damage the stability of the substance, or even trigger dangerous reactions such as decomposition; if the temperature is too low, it may affect its physical state and cause inconvenience to access. Generally speaking, it should be stored in a specific temperature range according to its characteristics, or it needs to be refrigerated, or stored in a specific range at room temperature.
    During transportation, the packaging must be solid and reliable. This substance may be dangerous. If the packaging is not good, the packaging will be damaged due to bumps and collisions during transportation, and the material will leak, which will not only pollute the environment, but also endanger the safety of transporters and surrounding people. The packaging material should be able to withstand a certain external impact and have good tolerance to the substance.
    In addition, there are requirements for transportation vehicles. It is necessary to keep it clean and free of other chemicals that may react with it. Mixing of different chemicals may cause uncontrollable chemical reactions.
    Because 2-amino-5- (trifluoromethyl) pyridine-3-formonitrile or belongs to the category of hazardous chemicals, it must follow relevant laws and regulations when transporting, and handle necessary transportation permits and procedures. Transport personnel should also undergo professional training to be familiar with the characteristics of the substance and emergency treatment methods, so as to ensure safe storage and transportation.
    What is the safety information related to 2-amino-5- (trifluoromethyl) pyridine-3-carbonitrile?
    2-Amino-5- (trifluoromethyl) pyridine-3-formonitrile is a kind of organic compound. The relevant safety information of this substance is quite important and needs to be carefully observed.
    When it comes to toxicity, there is no conclusive and detailed data to directly prove its exact harm to the human body. However, many organonitrile compounds have certain toxicity, or can invade the human body through inhalation, skin contact and accidental ingestion, damaging the nervous system, cardiovascular system, etc.
    In terms of explosion characteristics, their chemical structure contains nitrogen, fluorine and other elements, which are usually stable under normal conditions and are not prone to spontaneous combustion. In case of extreme conditions such as strong oxidants and hot topics, or violent chemical reactions may occur, which may even cause combustion and explosion.
    When handling, be sure to ensure that it is carried out in a well-ventilated environment. The operator should wear appropriate protective clothing, such as protective work clothes, gloves, goggles and gas masks, etc., to prevent contact and inhalation damage. After operation, properly clean up the equipment and site used to avoid contamination caused by its residues.
    When storing, it should be placed in a cool, dry and well-ventilated place, away from fire, heat sources and strong oxidants. Store in a sealed container to prevent leakage. In case of accidental leakage, quickly evacuate the surrounding personnel to a safe area, and strictly prohibit unrelated persons from approaching. Emergency responders need professional protective equipment. According to the leakage situation, they may absorb and collect inert materials such as sand and vermiculite, or neutralize them with appropriate chemical reagents, and then properly dispose of the waste according to regulations.
    Anyone involved in this matter should be cautious, follow safety procedures, and must not be negligent, so as not to endanger personal safety and the environment.