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What is the chemical structure of (2S) -Oxian-2-Ylmethyl 3-Nitrobenzenesulfonate
(2S) -ethylene oxide-2-ylmethyl-3-nitrobenzenesulfonate, which is one of the organic compounds. To clarify its chemical structure, it is necessary to analyze its naming in detail.
" (2S) " indicates the specific stereochemical configuration of the compound, which is the absolute configuration of the chiral center, and "S" indicates its specific spatial arrangement.
"Ethylene oxide-2-ylmethyl", ethylene oxide is a ternary cyclic oxygen-containing compound, here it means that the 2 positions on the ethylene oxide ring are connected to the methyl group, and this part constitutes one of the structural units of the compound.
"3-nitrobenzenesulfonate", indicating that the benzene ring is used as the parent body, and the benzene ring is connected with nitro (-NO 2) at the 3rd position, and the hydroxyl group in the benzenesulfonate group (-SO < H) forms an ester bond with the hydroxyl group of ethylene oxide-2-methyl group through esterification, which constitutes the sulfonate structure.
Overall, the chemical structure of (2S) -ethylene oxide-2-ylmethyl-3-nitrobenzenesulfonate is formed by the ester bond between the ethylene oxide derivative with a specific chiral configuration and the benzenesulfonate containing nitro groups. This structure makes the compound have both the active reactivity of ethylene oxide and the specific chemical properties of benzenesulfonate, and it may have specific uses and reactivity in many fields such as organic synthesis.
What are the physical properties of (2S) -Oxian-2-Ylmethyl 3-Nitrobenzenesulfonate
The physical properties of (2S) -ethylene oxide-2-ylmethyl 3-nitrobenzenesulfonate are particularly important. Looking at its form, at room temperature, it is mostly colorless to light yellow liquid, with a quality like clear oil, flowing freely, and looking quite shiny.
When it comes to density, it is about 1.3-1.5 g/cm ³, which is heavier than water, so when it is poured into water, it will sink to the bottom. Its boiling point is quite high, roughly in the range of 250-270 ° C. Due to intermolecular forces, more energy is required to make it boil and vaporize.
As for solubility, the substance is slightly soluble in water, but it has good solubility in organic solvents such as ethanol, ether, and dichloromethane. This characteristic is derived from its molecular structure. The molecule contains polar sulfonate groups and non-polar ethylene oxide and benzene ring parts. The polar part has a certain affinity with water, but the non-polar part restricts its dissolution in water, so it is slightly soluble; the organic solvent interacts well with the non-polar part of the molecule, making it easily soluble in it.
In addition, its refractive index also has a specific value, between about 1.5 and 1.6. When light shines on this substance, the direction of light propagation changes due to the difference in medium density. This value can help to identify and analyze the substance. The stability of this substance is also an important physical property. Although it is relatively stable at room temperature and pressure, in the event of high temperature, open flame or strong oxidant, there is a potential reaction risk, or it may cause decomposition, combustion, and other accidents.
What is the common synthesis method of (2S) -Oxian-2-Ylmethyl 3-Nitrobenzenesulfonate
(2S) -Oxian-2-ylmethyl 3-Nitrobenzenesulfonate is an important compound in organic synthesis, and its common synthesis methods, let me explain in detail for you.
The first method often uses ethylene oxide derivatives with specific configurations as starting materials. First take the corresponding chiral ethylene oxide, which needs to precisely control the configuration, which is the key. The ethylene oxide derivative and 3-nitrobenzenesulfonyl chloride are co-located under suitable reaction conditions. Generally speaking, a suitable solvent, such as dichloromethane, tetrahydrofuran and other inert organic solvents, is required to create a stable reaction environment. At the same time, acid binding agents, such as triethylamine, need to be introduced, whose function is to capture the hydrogen chloride generated by the reaction and promote the reaction to move forward. Under these conditions, the oxygen atom of ethylene oxide nucleophilically attacks the sulfur atom of 3-nitrobenzenesulfonyl chloride, and then forms (2S) -Oxiran-2-ylmethyl 3-Nitrobenzenesulfonate.
The secondary method can start from the alcohol containing a suitable substituent. First, the alcohol is converted into the corresponding sulfonate intermediate in a suitable manner. This step requires the selection of a suitable sulfonation reagent, such as 3-nitrobenzenesulfonyl chloride. After that, the ethylene oxide structure is constructed by an intramolecular cyclization reaction. During the cyclization process, the reaction conditions, such as temperature, type and dosage of base, should be carefully regulated. If the strength of the base is not appropriate, the reaction may not be able to form a ring smoothly, or the product with wrong configuration may be obtained. Usually, weak bases such as potassium carbonate, in suitable solvents, under heating conditions, can promote the nucleophilic substitution reaction in molecules, thereby closing the loop to form the target product (2S) -Oxiran-2-ylmethyl 3-Nitrobenzenesulfonate.
Or, the method of transition metal catalysis can be used. Select specific transition metal catalysts, such as palladium, copper and other complexes. Using suitable halogenated hydrocarbon derivatives and metal salts of 3-nitrobenzene sulfonic acid as raw materials, under transition metal catalysis, a coupling reaction occurs first to form an intermediate. Subsequently, through further intramolecular reactions, the construction of ethylene oxide rings is realized, and the final (2S) -Oxiran-2-ylmethyl 3-Nitrobenzenesulfonate is obtained. This method requires careful screening of the types of catalysts and the structure of ligands to achieve high selectivity and high yield.
All these synthesis methods require careful consideration of reaction conditions, raw material purity, intermediate stability and many other factors to effectively synthesize (2S) -Oxiran-2-ylmethyl 3-Nitrobenzenesulfonate.
What is the main use of (2S) -Oxian-2-Ylmethyl 3-Nitrobenzenesulfonate
(2S) -ethylene oxide-2-ylmethyl-3-nitrobenzenesulfonate, which has a wide range of uses. In the field of pharmaceutical synthesis, it is often used as a key intermediate. Its unique structure can undergo various chemical reactions to build complex drug molecular structures, helping to develop new specific drugs and exert therapeutic effects for specific diseases.
In the field of organic synthesis chemistry, it is an important synthetic building block. Because of its active reaction check point, it can undergo nucleophilic substitution, ring opening and other reactions with many reagents, expand the carbon chain and introduce special functional groups, paving the way for the synthesis of target compounds, which is conducive to the preparation of organic materials with novel structures and specific properties.
In the field of materials science, it has also emerged. With the help of its participation in the reaction, the surface of the material can be modified, giving the material better hydrophilicity, biocompatibility and other characteristics, and applied to biomedical materials, polymer materials and many other aspects to improve the quality and application value of the material. With its unique structure and reactivity, this substance has shown important functions in many fields, promoting the progress and development of related science and technology.
What are the precautions for (2S) -Oxian-2-Ylmethyl 3-Nitrobenzenesulfonate in storage and transportation?
(2S) -ethylene oxide-2-ylmethyl-3-nitrobenzenesulfonate This material requires many matters to be paid attention to during storage and transportation.
Let's talk about storage first. This compound may be more active in nature and is quite sensitive to environmental factors. The first temperature control should be stored in a cool place to prevent it from decomposing or triggering other chemical reactions due to excessive temperature. Generally speaking, it should be kept in the range of 5 to 25 degrees Celsius. Humidity should also not be ignored. It should be placed in a dry place to avoid moisture, which may affect its stability or even promote reactions such as hydrolysis. Furthermore, the storage place should be well ventilated to prevent the accumulation of harmful gases. And it should be kept away from fire sources, heat sources and strong oxidants, because it has certain chemical activity, in case of such substances or risk of combustion and explosion.
As for transportation, the packaging must be tight. Suitable packaging materials need to be selected to ensure that they can resist vibration, collision and friction, so as to avoid material leakage due to package damage. During transportation, temperature and humidity control are also as critical as storage. Temperature-controlled transportation equipment can be used to maintain a suitable temperature. At the same time, transportation personnel must be professionally trained to be familiar with the characteristics of the chemical and emergency treatment methods. In the event of leakage and other accidents, they can respond quickly and properly to reduce hazards. In conclusion, (2S) -ethylene oxide-2-ylmethyl 3-nitrobenzenesulfonate should not be ignored in terms of temperature, humidity, packaging, environment and personnel during storage and transportation, so as to ensure its safety and stability.