Chemical Name | N-{3-[5-(2-chloro-4-pyrimidinyl)-2-(1,1-diethylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide |
Molecular Formula | C24H24ClF3N4O2S |
Molecular Weight | 526.99 |
Appearance | Unknown |
Physical State | Unknown |
Melting Point | Unknown |
Boiling Point | Unknown |
Solubility | Unknown |
Pka | Unknown |
Logp | Unknown |
Chemical Formula | C23H21ClF3N5O2S2 |
Molecular Weight | 557.93 g/mol |
Chemical Name | N-{3-[5-(2-chloro-4-pyrimidinyl)-2-(1,1-diethylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide |
Chemical Name | N-{3-[5-(2-chloro-4-pyrimidinyl)-2-(1,1-diethylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide |
Molecular Formula | C25H25ClF3N5O2S |
Molecular Weight | 568.01 g/mol |
Appearance | Unknown |
Physical State | Unknown |
Melting Point | Unknown |
Boiling Point | Unknown |
Solubility | Unknown |
Pka | Unknown |
Logp | Unknown |
Chemical Formula | C24H21ClF3N5O2S2 |
Molecular Weight | 568.04 g/mol |
Physical State | Solid (predicted) |
Solubility In Water | Low (predicted, due to non - polar groups) |
Solubility In Organic Solvents | Likely soluble in common organic solvents like dichloromethane, chloroform (due to non - polar nature of many groups) |
Appearance | White to off - white powder (predicted based on similar sulfonamide compounds) |
Odor | Odorless (predicted, common for many sulfonamide - type solids) |
What is the chemical structure of N- {3- [5- (2-chloro-4-pyrimidinyl) -2- (1,1-diethylethyl) -1,3-thiazole-4-yl] -2-fluorophenyl} -2,6-difluorobenzenesulfonamide
The structural analysis of this organic compound needs to be carried out as follows:
1. Identify the key substituents: "2-cyanogen-4-carbonylbutyl", the cyanyl group (-CN) is connected to the 4-carbonylbutyl group, and the carbonyl group is the carbon-oxygen double bond (C = O) in the 4th position of the butyl chain. Butyl is an alkyl group containing 4 carbons, and its structure is -CH ² CH -2 CH -2 -. After connecting with the carbonyl group, it is -CH -2 CH -2 CH -2 C = O, and then connected with the cyanyl group to form -CH -2 CH -2 CH C (= O) CN.
2. Determine the structure of "1,1-diethylaminoethyl": Two ethylamino groups (-N (C ² H) ³) are attached to the 1-position carbon of the same ethyl group (-CH ² CH 😉) to form the -CH (N (C ³ H) ³) CH 😉 structure.
3. Analysis of "1,3-naphthidine-4-yl": Naphthidine is a nitrogen-containing heterocyclic ring, 1,3-naphthidine indicates that the nitrogen atom is at the 1 and 3 positions of the naphthalene ring, and 4-yl represents a substituted connection point on the 4-position carbon.
4. Analysis of "2-hydroxybenzyl": Benzyl is benzyl (-CH -2-phenyl ring), 2-hydroxybenzyl introduces hydroxyl (-OH) at the 2 position of the benzene ring, and the structure is -CH -2-phenyl ring (2-OH).
5. Discuss "2,6-dihydroxybenzylidene acetone": It is derived from benzylidene acetone, the structure of benzylidene acetone is benzene ring - CH = CH - C = O - CH, and 2,6-dihydroxybenzylidene acetone is introduced into the hydroxy group at the 2nd and 6th positions of the benzene ring, and the structure is benzene ring (2 - OH) (6 - OH) - CH = CH - C = O - CH.
6. Integrate each part: With a central atom or group as the core, combine "2-cyano-4-carbonylbutyl", "1,1-diethylaminoethyl", "1,3-naphthidine-4-yl", "2-hydroxybenzyl", "2,6-dihydroxybenzylidene acetone" according to the corresponding connection method. Suppose the center is a carbon atom, and each substituent is connected to different bond positions of the central carbon to form a complex organic structure.
7. Comprehensive presentation: Through the connection of the above parts of the structure, the approximate chemical structure of the compound can be constructed. The relative position and connection of each substituent in space determine the chemical properties and spatial configuration of the entire compound.
What are the physical properties of N- {3- [5- (2-chloro-4-pyrimidinyl) -2- (1,1-diethylethyl) -1,3-thiazole-4-yl] -2-fluorophenyl} -2,6-difluorobenzenesulfonamide
This compound is a nitrogen-containing organic compound with a complex structure and is composed of multiple specific groups. For the physical properties of 2,6-dichlorobenzoyl chloride, according to the "Tiangong Kaiwu", it can be expressed as follows:
2,6-dichlorobenzoyl chloride, which has special properties. Its color is often colorless to light yellow, like the thin haze of autumn morning, clear and slightly translucent. At room temperature, this substance is a flowing liquid, like a smart mountain stream, with fluidity. Its smell is strong and irritating, such as spicy medicinal smell, pungent smell, uncomfortable.
When it comes to volatility, 2,6-dichlorobenzoyl chloride has a certain potential to evaporate at room temperature, like water vapor in spring, quietly dispersing in the air. The boiling point is in a specific temperature range, just like the boiling point of water is the key node of its gasification. When this compound reaches a specific temperature, it will also change from liquid to gaseous state. Its density is greater than that of water. If it is co-placed with water, such as stone sinking in water, it will sink to the bottom.
In terms of solubility, 2,6-dichlorobenzoyl chloride can be well dissolved in organic solvents, such as water, but in water, it is extremely difficult to dissolve like oil floating in water. And this material is easy to react in contact with water, and its nature is active. When it encounters water, it is like dry wood in contact with fire, reacts quickly, decomposes and produces new substances. These are all important physical properties of 2,6-dichlorobenzoyl chloride.
What is the main use of N- {3- [5- (2-chloro-4-pyrimidinyl) -2- (1,1-diethylethyl) -1,3-thiazole-4-yl] -2-fluorophenyl} -2,6-difluorobenzenesulfonamide
The terms involved in this question are all terms of organic chemistry. Although it is complicated and difficult, it can be separated by the method of "Tiangong Kaiji".
Where "N - {3- [5- (2-cyanogen-4-pyridyl) -2- (1,1-diethylaminoethyl) -1,3-oxazole-4-yl] -2-methoxyphenyl} -2,6-dimethoxyaniline", this compound has a complex structure and contains a variety of functional groups.
In the field of organic synthesis, such compounds have a wide range of uses. First, it can be used as a pharmaceutical intermediate. Today's pharmaceutical research and development relies on such organic compounds, which can be ingeniously reacted to produce drugs for the treatment of various diseases. For example, for specific disease targets, based on this, bioactive molecules can be constructed to achieve therapeutic effect. Second, it can also be used in materials science. It can be modified and polymerized to produce polymer materials with special properties, such as photoelectric materials, which are used in electronic display and other fields because of their unique structure and excellent photoelectric properties. Third, in agricultural chemistry, it can be developed into pesticide ingredients. According to its chemical activity, it has inhibitory or killing effects on specific pests or pathogens to protect the growth of crops.
Although this compound has a complex structure, it can play important functions in many fields such as medicine, materials, and agriculture through careful research and rational application, and bring benefits to human life and production.
What are the synthesis methods of N- {3- [5- (2-chloro-4-pyrimidinyl) -2- (1,1-diethylethyl) -1,3-thiazole-4-yl] -2-fluorophenyl} -2,6-difluorobenzenesulfonamide
To prepare N - {3 - [5 - (2 - cyanogen - 4 - nitrophenyl) - 2 - (1,1 - diethylethoxy) - 1,3 - dioxypentyl - 4 - yl] - 2 - methoxybenzyl} - 2,6 - dimethoxybenzaldehyde, there are many synthetic methods, and the advantages and disadvantages of each method are different. When carefully selected according to the actual situation.
First, 2,6 - dimethoxybenzoic acid is used as the starting material, esterified, reduced and halogenated to obtain 2,6 - dimethoxyhalobenzyl. The target product can be obtained by coupling 2-cyano-4-nitrobenzaldehyde with 1,2-propanediol under acid catalysis, and then through a series of reactions such as alkylation and hydrolysis, and the above-mentioned halogenated benzyl. The raw materials of this route are common and easy to purchase, and the reaction steps are clear. However, some reaction conditions are harsh, and an anhydrous and anaerobic environment and special catalysts are required, which requires high operation requirements.
Second, starting from 2,6-dimethoxybenzaldehyde, a protective group is first introduced, and the key intermediate is constructed by reacting with halogenated hydrocarbons containing specific substituents. After deprotection, the target is prepared by oxidation, condensation and other reactions. The route of this method is relatively short and the yield is good, but the introduction and removal of protective groups need to be precisely controlled, otherwise the purity and yield of the product will be affected.
Third, the coupling reaction catalyzed by transition metals, such as palladium-catalyzed cross-coupling. With suitable halogenated aromatics, alkenyl halides, etc. as raw materials, under the action of palladium catalysts, ligands and bases, it is synthesized through multi-step coupling reactions. This method has excellent selectivity, mild reaction conditions, and can efficiently construct complex structures. However, the cost of palladium catalysts is high, and the synthesis of partial distributors is complicated, which increases the cost.
When synthesizing this compound, the purity of raw materials, reaction temperature, time, solvent and catalyst dosage will all affect the reaction process and product yield and purity. In actual operation, the reaction conditions should be optimized through experiments, considering factors such as cost and environmental protection, and the most suitable route should be selected to achieve the ideal synthesis effect.
N- {3- [5- (2-chloro-4-pyrimidinyl) -2- (1,1-diethylethyl) -1,3-thiazole-4-yl] -2-fluorophenyl} -2,6-difluorobenzenesulfonamide What are the safety precautions
The structure of this organic compound is complex and contains many special group descriptions. For the safety of such substances, the following points need to be paid attention to:
First, the nature of the group affects the reactivity. Groups such as amine and alkyl groups, if the amine group is active, may easily react with other substances. When storing and using, avoid contact with strong oxidants, strong acids and other substances that can react violently with them to prevent explosion or produce toxic products. For example, amine-containing compounds may form salts in contact with strong acids. If the reaction is violent, it may cause danger.
Second, the spatial structure has an important impact. The spatial arrangement of molecules affects its stability and reaction check point. If there is tension in the spatial structure of the compound, it may make it more reactive and increase instability factors. At this time, it needs to be stored in a low temperature, dry and no catalytic impurities environment to prevent danger caused by structural changes.
Furthermore, consider its volatility and solubility. If it contains volatile groups, it is easy to accumulate in a poorly ventilated environment, and there is a risk of explosion in case of open flames or hot topics. Make sure that the operating environment is well ventilated. If it is easily soluble in water or other common solvents, once it leaks, it will diffuse with the solvent. Emergency treatment plans for the corresponding solvents should be developed in advance.
Finally, its decomposition products may be toxic. When decomposed under high temperature, light or with specific substances, the products may endanger health and the environment. Therefore, when using, it is necessary to strictly control the conditions to avoid decomposition, and at the same time take personal protection, such as wearing gas masks, protective gloves, etc.