What is the chemical structure of N- (4- (3-fluorobenzyloxy) -3-chlorophenyl) -6-bromoquinazolin-4-amine

This is an organic compound, and its naming is lengthy and complicated. It is analyzed according to the naming rules of organic chemistry. "N- (4- (3-fluorobenzoxy) -3-chlorophenyl) -6-bromoquinazoline-4-amine", from the perspective of structural units:
-quinazoline is the core parent ring, and the nitrogen atom number on its ring is given. At position 4, there is a nitrogen-containing substituent, which is connected to an amine group and a benzene ring.
-This benzene ring has a chlorine atom at position 3, a benzoxy group at position 4, and the benzyl ring at position 3 is substituted by a fluorine atom.
- Bromine atoms are substituted at position 6 of the quinazoline parent ring.

The following is a diagram of its approximate structure (although limited to text form, it is only a schematic, and the chemical structure diagram is not precise):
The quinazoline ring is like a delicate pavilion, composed of two connected six-membered rings, just like a closely interdependent house with two compartments. The nitrogen atom is like the beams of the pavilion, which determines its structure. The bromine atom at position 6 is like a delicate wind chime hanging from the eaves of the pavilion, shaking gently in the wind. The part where the amine group at position 4 is connected to the benzene ring is like a corridor extending out of the pavilion. The chlorine atom at position 3 on the benzene ring is like an alexandrite inlaid on the armrest of the corridor; the benzoxy group at position 4 is like a winding path at the end of the corridor, and the fluorine atom at position 3 of the benzene ring at the end of the path is like a unique flower blooming next to the path.

The structure of this compound is exquisitely combined with many atoms and groups to form a unique and complex organic structure, which is used in organic synthesis, pharmaceutical chemistry and other fields, or shows specific chemical and biological activities due to the unique structure.

What are the physical properties of N- (4- (3-fluorobenzyloxy) -3-chlorophenyl) -6-bromoquinazolin-4-amine

N- (4- (3-fluorobenzoxy) -3-chlorophenyl) -6-bromoquinazoline-4-amine is an organic compound with special physical properties. This compound is mostly solid under normal conditions, and the molecules are arranged in an orderly manner due to strong intermolecular forces.

Looking at its melting point, due to the presence of halogen atoms such as bromine and chlorine and structures such as benzene rings and quinazoline rings in the molecular structure, the intermolecular forces increase, so the melting point is higher. Specifically, the electronegativity of halogen atoms is large, which will enhance the electrostatic interaction between molecules; the conjugated system of benzene rings and quinazoline rings also makes the intermolecular forces more stable, resulting in a significantly higher melting point than some organic compounds with simple structures.

When it comes to solubility, this compound has little solubility in water due to its hydrophobic groups such as fluorobenzoxy, chlorine, and bromine. Water is a polar solvent, and the hydrophobic group of this compound affects its interaction with water molecules such as hydrogen bonding, making it difficult to dissolve in water. However, in some organic solvents, such as dichloromethane, chloroform, N, N-dimethylformamide (DMF), the solubility is relatively good. Organic solvents such as dichloromethane and chloroform have moderate polarity and have certain compatibility with the structure of the compound; DMF, as a strong polar aprotic solvent, can form specific interactions with the compound to help it dissolve.

In addition, the density of the compound is affected by the molecular structure and atomic composition. The relative atomic weight of bromine and chlorine atoms in the molecule is relatively large, which increases the overall molecular weight, and then increases the density, which is higher than that of common hydrocarbon compounds.

Its appearance may vary depending on the purity and crystalline state. At high purity, it may be white to light yellow crystalline powder. The color is derived from the absorption and reflection of light by the conjugated system of chromophore in the molecular structure, such as benzene ring and quinazoline ring.

What is the synthesis method of N- (4- (3-fluorobenzyloxy) -3-chlorophenyl) -6-bromoquinazolin-4-amine

To prepare N- (4- (3-fluorobenzoxy) -3-chlorophenyl) -6-bromoquinazoline-4-amine, the method is as follows:
First take the appropriate starting material, start with 3-chloro-4-hydroxybenzoic acid, and then esterify the carboxyl group to form an ester to obtain the corresponding esteride. This step requires the selection of a suitable alcohol, using sulfuric acid as a catalyst, and reacting at an appropriate temperature and duration can promote the esterification.
The resulting esteride is reacted with 3-fluorobenzyl halide in the presence of a base. Bases such as potassium carbonate, and suitable organic solvents such as N, N-dimethylformamide (DMF), in this system, phenolic hydroxyl groups undergo nucleophilic substitution with halogenated hydrocarbons, and 3-fluorobenzyl groups are introduced to obtain benzoic acid ester derivatives containing 3-fluorobenzyl groups.
Then a series of transformations are carried out on the derivative. First, the ester group is hydrolyzed to a carboxyl group, and the ester bond can be broken by heating the reaction with an aqueous solution such as sodium hydroxide. Then the carboxyl group is converted to an acid chloride, and reagents such as sulfoxide chloride are commonly used. This reaction is relatively rapid and can be completed under mild conditions.
Then the acid chloride is reacted with 2-amino-5-bromobenzoic acid to form an amide bond. This reaction can be carried out in an organic solvent in the presence of a suitable acid binding agent to promote the forward progress of the reaction. After
, a quinazoline ring is constructed by an intramolecular cyclization reaction. A suitable dehydrating agent, such as polyphosphoric acid, can be selected. Under heating conditions, the intramolecular dehydration and cyclization form 6-bromoquinazoline-4-one derivatives.
Finally, the ketone derivative is aminated, and a suitable amination reagent, such as an alcohol solution of ammonia gas, is used under heating and pressure to convert ketone carbonyl into an amine group, and finally N- (4- (3-fluorobenzoxy) -3-chlorophenyl) -6-bromoquinazoline-4-amine is obtained. The whole process requires attention to the precise control of the reaction conditions, the separation and purification of the products at each step, in order to improve the purity and yield of the products.

In which fields is N- (4- (3-fluorobenzyloxy) -3-chlorophenyl) -6-bromoquinazolin-4-amine used?

N- (4- (3-fluorobenzoxy) -3-chlorophenyl) -6-bromoquinazoline-4-amine is an organic compound, which is widely used in the fields of medicinal chemistry and materials science.

In the field of medicinal chemistry, its role is particularly significant. Quinazoline compounds often have diverse biological activities, and the structure of 6-bromoquinazoline-4-amine in this compound may exhibit anti-tumor activity. After in-depth investigation of the mechanism of cancer cell growth and proliferation, researchers have discovered that this structure may be able to regulate key signaling pathways in cancer cells in a specific way. For example, it may bind to specific proteins in cancer cells to inhibit protein activity, thereby hindering cancer cell division and growth, and opening up new avenues for the development of anti-cancer drugs. At the same time, because its structure contains fluorobenzoxy and chlorophenyl groups, it may optimize the pharmacokinetic properties of the compound, such as enhancing its absorption, distribution, metabolism and excretion in the body, improving drug efficacy and reducing toxic and side effects.

In the field of materials science, the compound also has potential applications. The optical and electrical properties of organic materials are often affected by the molecular structure, and the unique structure of this compound may endow it with special photoelectric properties. For example, in the study of organic Light Emitting Diode (OLED) materials, it may be used as a light-emitting layer material to achieve efficient electron and hole recombination under the action of an electric field by virtue of its own structural characteristics, and then emit specific wavelengths of light, laying the foundation for achieving better display effects. In addition, in the development of organic solar cell materials, the compound may be used as an electron donor or receptor material to participate in the separation and transmission of photogenerated charges, improving the photoelectric conversion efficiency of solar cells.

What is the market prospect of N- (4- (3-fluorobenzyloxy) -3-chlorophenyl) -6-bromoquinazolin-4-amine?

There is a product called N- (4- (3-fluorobenzoxy) -3-chlorophenyl) -6-bromoquinazoline-4-amine. The market prospect of this product needs to be discussed from many aspects.

From the field of pharmaceutical research and development, such compounds often have unique pharmacological activities. Quinazoline structures are common in many drugs, laying the foundation for the development of new drugs. If N- (4- (3-fluorobenzoxy) - 3-chlorophenyl) -6-bromoquinazoline-4-amine can exhibit excellent biological activities, such as efficient inhibition or regulation of specific disease targets, it will surely attract the attention of pharmaceutical companies and is expected to be developed into innovative drugs, with unlimited market potential. The current pharmaceutical market has a strong demand for novel special drugs. If this compound can stand out, it may gain a place in the field of treatment of related diseases.

However, in the chemical raw material market, its prospects are also influenced by multiple factors. If its synthesis process is simple and the cost is controllable, it may become an important intermediate in chemical production. It can be widely used in the preparation of chemical products such as dyes and pesticides. However, if the synthesis process is complicated and expensive, it will encounter obstacles in the marketing activities of chemical raw materials.

Furthermore, the market competition situation is also the key. If the research and development results of this compound are exclusively owned and the technical barriers are high, it can dominate the market. If there are many compounds of the same type and the competition is fierce, it is necessary to make efforts in quality, price, research and development speed to gain an advantage.

Overall, the market prospect of N - (4- (3-fluorobenzoxy) - 3-chlorophenyl) - 6-bromoquinazoline - 4-amine is promising, but there are also challenges. It needs to be carefully studied in multiple links such as research and development, production, and marketing activities in order to seize the opportunity and open up a broad market space.