What is the chemical structure of (s) 2- [ (tert-butoxycarbonyl) amino] -3-iodopropionic acid Methyl Ester?
(S) -2 - [ (tert-butoxycarbonyl) amino] -3 -methyl iodopropionate, the chemical structure of this compound is derived from methyl propionate. The 2-position carbon of the propionic acid backbone exists in the (s) configuration, and this carbon atom is connected with an amino substituent (tert-butoxycarbonyl). The 3-position carbon is connected with an iodine atom.
methyl propionate, as the basic structure, in which the methyl ester group (-COOCH) is connected to the carboxyl group of propionic acid to form an ester. The (tert-butoxycarbonyl) amino group, in the structure, the tert-butoxycarbonyl (- COOC (CH < unk >) < unk >) is connected to the amino group (- NH < unk >), and the whole is connected to the carbon at the 2 position of the main chain as a substituent. The iodine atom at the 3 position is directly connected to the carbon. This structural property makes the compound have unique chemical properties. In the field of organic synthesis, it can react at specific check points due to different reaction conditions to build more complex organic molecular structures.
What are the main uses of (s) 2- [ (tert-butoxycarbonyl) amino] -3-iodopropionic acid Methyl Ester?
(S) -2 - [ (tert-butoxycarbonyl) amino] -3 -methyl iodopropionate, this substance has a wide range of uses. In the field of organic synthesis, it is often used as a key intermediate. Due to its unique structure, iodine atoms coexist with amino and ester groups, and various chemical reactions can be used to realize the construction of various compounds.
In the polypeptide synthesis process, it can introduce specific protective groups and functional groups for amino acid residues, help peptide chain precise synthesis, improve product purity and activity. In the process of drug research and development, as a raw material for structural modification of lead compounds, through structural modification and optimization, potential drug molecules with better pharmacological activity and pharmacokinetic properties can be searched.
In the field of materials science, using this as a raw material for polymerization or modification means can prepare functional materials with special properties, such as modifying the surface of the material to give it specific adsorption, identification and other properties. And it also has important applications in the field of fine chemical preparation, which can be used to synthesize high value-added fine chemicals to meet the needs of various industries for special chemicals.
What is the synthesis method of (s) 2- [ (tert-butoxycarbonyl) amino] -3-iodopropionic acid Methyl Ester?
The synthesis of methyl (S) - 2 - [ (tert-butoxycarbonyl) amino] - 3 - iodopropionate is an important task in organic synthesis. To prepare this substance, the following steps can be followed.
At the beginning, (S) - 2 - aminopropionic acid is the starting material, which is the key starting material. First, (S) - 2 - aminopropionic acid is reacted with di-tert-butyl dicarbonate under suitable conditions. This reaction requires a mild alkaline environment, such as potassium carbonate, and an organic solvent such as dichloromethane. The purpose of this step is to protect the amino group with tert-butoxycarbonyl (Boc) to form (S) -2- (tert-butoxycarbonyl amino) propionic acid.
The resulting (S) -2- (tert-butoxycarbonyl amino) propionic acid is then reacted with an iodine substitution reagent. Commonly used iodine substitutes, such as cuprous iodide and iodine, react in a suitable solvent such as N, N-dimethylformamide (DMF) in the presence of ligands. This reaction requires controlling the temperature and reaction time to successfully introduce the α-position of the carboxyl group into the iodine atom to obtain (S) -2- (tert-butoxycarbonyl amino) -3-iodopropionic acid.
The last step is to react (S) -2- (tert-butoxycarbonyl amino) -3-iodopropionic acid with methanol in the presence of a catalyst. The commonly used catalysts are concentrated sulfuric acid or p-toluenesulfonic acid. Under the condition of heating and reflux, the esterification reaction occurs, and the final product is (S) -2- [ (tert-butoxycarbonyl) amino] -3-iodopropionic acid methyl ester.
Each step of the reaction requires precise control of the reaction conditions, such as temperature, time, and the proportion of reactants, and after the reaction, appropriate separation and purification methods, such as column chromatography, recrystallization, etc. are required to ensure the purity and yield of the product. In this way, the target product (S) -2 - [ (tert-butoxycarbonyl) amino] -3 -iodopropionate methyl ester can be obtained.
What are the physicochemical properties of (s) 2- [ (tert-butoxycarbonyl) amino] -3-iodopropionic acid Methyl Ester?
(S) -2 - [ (tert-butoxycarbonyl) amino] -3 -methyl iodopropionate, this substance has various physical and chemical properties. Its properties are mostly white to off-white solids or powders. Due to the regular and orderly molecular structure, the intermolecular force causes it to exist in this form at room temperature. The melting point is also an important characteristic. It is about a specific temperature range, which is the thermal energy required for the molecule to change from a solid state to a liquid state. This value is restricted by the attractive force between molecules.
In terms of solubility, it is soluble in common organic solvents such as dichloromethane and chloroform. Due to the principle of "similarity and compatibility", its molecular structure is compatible with the polarity of this type of solvent, and effective interactions can be formed between molecules. However, the solubility in water is low, because its molecules contain hydrophobic groups, the interaction with water molecules is weak.
In terms of stability, it is relatively stable under normal storage conditions. When encountering strong acids and strong bases, tert-butoxycarbonyl and ester groups in the structure are vulnerable to attack. In strong acids, tert-butoxycarbonyl can be hydrolyzed and removed; in strong alkali environments, ester groups are easy to hydrolyze into corresponding acids and alcohols. And light and high temperature will also affect its stability and accelerate the decomposition process. Because light and heat provide additional energy for molecules, chemical bond activation is easy to break.
The above physicochemical properties are of great significance in the fields of organic synthesis and drug development, and are related to the selection of reaction conditions, product separation and preservation.
(S) 2- [ (tert-butoxycarbonyl) amino] -3-iodopropionic acid Methyl Ester What are the precautions during storage and transportation?
(S) - 2 - [ (tert-butoxycarbonyl) amino] - 3 -iodopropionic acid methyl ester is a very important chemical substance in organic synthesis. When storing and transporting, there are indeed many matters that need to be paid more attention.
Let's talk about storage first. This compound should be stored in a cool, dry and well-ventilated place. Because it is very sensitive to heat, if it is heated, it may cause changes in chemical properties, or even cause decomposition and other adverse conditions. And it needs to be kept away from fires and heat sources to prevent fire and other hazards. Furthermore, it should be stored separately from oxidants, acids, bases and other substances, because these substances are in contact with them, which are prone to chemical reactions and damage to the compound. At the same time, the storage place should be equipped with suitable materials to contain the leakage, in case of leakage, it can be properly handled in time.
As for transportation, make sure that the container is well sealed before transportation to prevent its leakage, collapse, fall or damage. During transportation, the relevant regulations must be strictly followed, and it is not allowed to be mixed with contraindicated materials. Transportation vehicles also need to be equipped with corresponding fire equipment and leakage emergency treatment equipment to deal with emergencies. And the speed of the vehicle during transportation should not be too fast, so as to avoid sudden braking to prevent damage to the compound due to vibration, collision, etc. In conclusion, whether it is storage or transportation of (S) - 2 - [ (tert-butoxycarbonyl) amino] - 3 - methyl iodopropionate, it is necessary to exercise caution and strictly follow regulations to ensure its quality and safety.