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3-iodoprop-1-yn-1-yl chemical structure of Butylcarbamate
3-Iodopropyl-1-alkyne-1-butylcarbamate, this is an organic compound. To understand its chemical structure, it is necessary to look at each part of the structural unit.
"3-Iodopropyl-1-alkyne-1-group", which indicates that the compound contains a propiynyl group and is replaced by an iodine atom at position 3 of the propiynyl group. The propiynyl group is a three-carbon chain of carbon-containing three bonds, and its structure is - C ≡ C - CH 2O -. After connecting the iodine atom at position 3, this part of the structure is - C ≡ C - CH 2O I.
"Butyl carbamate", "butyl" is a linear alkyl group containing four carbon atoms, namely - C H. The general structural formula of "carbamate" is - NH - COO -. Connect butyl to carbamate to obtain - NH - COO - C H.
Combining the two, the chemical structure of 3-iodopropane-1-alkyne-1-butylcarbamate is: butyl is connected to the oxygen atom of the urethane, and the nitrogen atom of the urethane is connected to the 3-iodopropane-1-alkyne-1-group. The complete structure is: I-CH-C ≡ C-CH-NH-COO-C H.
This structure fuses halogenated alkynyl and carbamate structural fragments, and each part of the structure endows the compound with unique chemical properties and reactivity, which can be used in organic synthesis and related fields or for specific purposes.
3-iodoprop-1-yn-1-yl the main uses of Butylcarbamate
3-Iodopropane-1-alkyne-1-butylcarbamate, an organic compound, has a wide range of uses.
First, in the field of organic synthesis, it is often used as a key intermediate. With its active properties of alkynyl and iodine atoms, it can participate in a variety of chemical reactions, such as coupling reactions. In Sonogashira coupling reactions, alkynyl groups and halogenated hydrocarbons can be cleverly combined under the action of palladium catalysts, thus assisting in the construction of complex carbon-carbon bond structures, laying the foundation for the synthesis of organic molecules with specific structures and functions, such as the preparation of some natural product analogs, new drug intermediates, etc.
Second, in the field of materials science, it may be used to prepare functional materials. Alkynyl groups can be introduced into polymer systems through chemical reactions to endow materials with special properties. For example, with click chemistry, alkynyl groups and azide groups can react quickly and efficiently to achieve surface modification of materials or build cross-linked structures, improve the mechanical properties and stability of materials, and have great potential in the preparation of high-performance polymer films and coating materials.
Third, in the field of medicinal chemistry, it may exhibit unique biological activities. Studies have found that compounds containing alkynyl and carbamate structures may have affinity and inhibitory effects on specific biological targets, or can be used as lead compounds for in-depth research. After structural optimization and activity screening, new drugs are expected to be developed for the treatment of diseases.
3-iodoprop-1-yn-1-yl Butylcarbamate is synthesized
To make 3-iodopropane-1-alkyne-1-ylbutylcarbamate, the following ancient method can be used.
First take propargyl alcohol and dissolve it with an appropriate solvent, often anhydrous dichloromethane is preferred. In a low temperature and stirring state, slowly drop sodium hydride, this step must be cautious, because sodium hydride activity is quite high, easy to cause violent reaction. When the reaction system is stable, slowly add iodomethane and keep stirring at low temperature until the reaction is complete. After extraction, drying, vacuum distillation and other methods, 3-iodopropane-1-alkyne can be obtained.
Another butylaminocarboxylic acid is taken, placed in a reactor, dissolved in an appropriate amount of organic solvent, added with a condensing agent, such as dicyclohexylcarbodiimide (DCC), and a little catalyst 4-dimethylaminopyridine (DMAP). To this mixture, slowly add the previously prepared 3-iodopropane-1-alkyne dropwise, control the reaction temperature and rate, and stir for a number of times.
After the reaction is completed, the dicyclohexyl urea precipitate generated by the reaction is removed by filtration. The filtrate is washed with water, alkali, and acid to remove unreacted raw materials and impurities. Then dried with anhydrous sodium sulfate and distilled under reduced pressure to remove the solvent. The obtained crude product was purified by column chromatography, selected appropriate eluent, separated and purified, and finally obtained pure 3-iodopropane-1-alkyne-1-butylcarbamate. During the whole process, the control of reaction conditions, the precise use of materials and the specification of each step are the keys to obtain this product.
3-iodoprop-1-yn-1-yl the physical and chemical properties of Butylcarbamate
3-Iodopropyl-1-alkyne-1-butylcarbamate, this is an organic compound. Its physical and chemical properties are unique, and it is of great significance in scientific research and specific industrial fields.
First of all, its appearance is often colorless to light yellow liquid, or white to off-white crystalline powder, depending on the conditions of synthesis and purification. Its texture is fine, if it is a liquid, it has good fluidity, and if it is a powder, it feels like fine sand.
In terms of melting point, it is about [X] ° C. However, the amount of impurities and crystal morphology in the synthesis process can cause the melting point to fluctuate by ± [X] ° C. The boiling point is approximately [X] ° C. When heated to this temperature under normal pressure, it will change from liquid to gaseous.
Solubility is also a key property. It has very good solubility in organic solvents such as dichloromethane, chloroform, and tetrahydrofuran, and can be miscible with these solvents in any ratio. Due to the good interaction between the molecular structure and the organic solvent. However, the solubility in water is extremely poor and almost insoluble. The polarity of the cover is quite different from that of water due to its molecular structure.
Stability is also worthy of attention. It can exist stably at room temperature and pressure, dry and dark environment. However, in case of strong oxidizing agents, it is prone to oxidation reactions, causing structural changes, which affects its properties and uses. In case of high temperature (higher than [X] ° C) or open flame, there is a risk of combustion and explosion, because it is an organic compound and flammable.
The physicochemical properties of this compound determine that it is an important intermediate in organic synthesis and can participate in a variety of chemical reactions to construct complex organic molecular structures. Understanding these properties can effectively control the conditions and achieve the desired effect when synthesizing, storing and applying the compound, ensuring safety.
3-iodoprop-1-yn-1-yl Butylcarbamate in the process of use
3-Iodopropyl-1-alkyne-1-yl and butylcarbamate do have many things to pay attention to during use. The reactions in which the two participate are often complex and dangerous.
First, it is related to the reaction conditions. Temperature control is extremely critical, and a slight deviation may cause a sudden change in the reaction rate or even cause side reactions. If the temperature is too high, or the reaction is out of control, resulting in impure products; if it is too low, the reaction will be slow and take a long time. Similarly, the pressure needs to be precisely adjusted, and the appropriate pressure can ensure the smooth progress of the reaction in the expected direction.
Secondly, the two are chemically active. 3-Iodopropyl-1-alkyne-1-group contains alkynyl groups and iodine atoms, which have high chemical activity and are easy to react with many substances. The amino groups and ester groups in butyl carbamate also have specific reactivity. When mixing the two, beware of accidental reactions with substances in the surrounding environment, such as avoiding contact with moisture, because it may cause adverse reactions such as hydrolysis, which will affect the quality of the product.
Furthermore, safety protection should not be underestimated. Both may have certain toxicity and irritation. Be sure to wear professional protective equipment when operating, such as protective clothing, gloves, goggles, etc., and the operation should be carried out in a well-ventilated environment, preferably in a fume hood, to prevent the accumulation of harmful gases and endanger personal safety.
In addition, the monitoring of the reaction process is also the focus. Appropriate analytical methods, such as chromatography, spectroscopy and other technologies, need to be used to monitor the reaction process in real time, so as to adjust the parameters in time to ensure that the reaction proceeds as planned and the ideal product is obtained. For product separation and purification, a process must also be carefully designed to ensure the purity and quality of the product.