What is the chemical structure of (E) -6-iodine-3- [2- (pyridin-2-yl) ethenyl] -1- (tetrahydro-2h-pyran-2-yl) -1h-indazole?
The chemical structure of (E) -6-iodine-3- [2- (pyridine-2-yl) vinyl] -1- (tetrahydro-2H-pyran-2-yl) -1H-indazole is composed of many specific groups.
The core of this structure is an indazole ring, which is connected to tetrahydro-2H-pyran-2-yl at position 1. Tetrahydro-2H-pyran-2-yl, containing a saturated five-membered heterocycle, one atom of which is oxygen, this structure endows the molecule with a specific spatial configuration and physicochemical properties.
at the 3rd position, connected with [2- (pyridine-2-yl) vinyl]. The pyridine ring is a nitrogen-containing six-membered aromatic heterocycle, which is aromatic and basic. Vinyl connects pyridine and indazole rings to form a conjugated system, which affects the electron cloud distribution and optical properties of the molecule. At the
6 position, the existence of iodine atoms has a significant impact on the molecular reactivity and lipophilicity due to the large atomic radius and unique electronic characteristics of iodine atoms.
In this way, the groups are connected in a specific way to construct the unique chemical structure of (E) -6-iodine-3- [2 - (pyridine-2-yl) vinyl] -1 - (tetrahydro-2H-pyran-2-yl) -1H-indazole, which determines the various physical, chemical and biological properties of the compound and may be of great significance in the fields of organic synthesis and drug development.
What are the physical properties of (E) -6-iodine-3- [2- (pyridin-2-yl) ethenyl] -1- (tetrahydro-2h-pyran-2-yl) -1h-indazole?
(E) -6-Iodine-3- [2- (pyridine-2-yl) vinyl] -1- (tetrahydro-2H-pyran-2-yl) -1H-indazole This substance has numerous physical properties.
Its melting point is the key characteristic. Under atmospheric pressure, due to the state of intermolecular forces, the melting point of the organic compound may fall in a specific temperature range, which is determined by the arrangement of atoms and the characteristics of bonds in its molecular structure. However, the exact value is not yet available. It is only known that the conjugate system and the interaction of each group in the molecule have a great influence on the melting point. The conjugate system can enhance the stability of the molecule, or cause the melting point to increase; while the steric resistance of tetrahydro-2H-pyran-2-yl and other groups may affect the molecular accumulation, which has a different effect on the melting point.
The boiling point is also affected by many factors. The polarity of the molecule is one. The compound contains iodine atoms, pyridyl groups, etc., which cause the molecule to have a certain polarity. The intermolecular dipole-dipole force can affect the boiling point. And the relative molecular weight is large, and the van der Waals force should not be underestimated. Both of these make gasification require more energy, so the boiling point may be in a higher range.
In terms of solubility, the molecule contains polar groups and non-polar parts, which are specific in organic solvents. In polar organic solvents such as ethanol and acetone, polar groups can form hydrogen bonds or dipole-dipole interactions with solvent molecules, or have a certain solubility; in non-polar organic solvents such as n-hexane, the non-polar part interacts with it, which also affects the dissolution situation.
Furthermore, its appearance may be specific. Based on its chemical structure and crystalline properties, it may be a crystalline solid, and it may have some color due to the iodine atom. The value of the
density is also determined by the mass and space occupied by the molecule, but the exact value needs to be accurately determined experimentally. The compactness of the molecular structure, the type and number of atoms all contribute to the density.
What is the preparation method of (E) -6-iodine-3- [2- (pyridin-2-yl) ethenyl] -1- (tetrahydro-2h-pyran-2-yl) -1h-indazole?
The preparation method of (E) -6-iodine-3- [2- (pyridine-2-yl) vinyl] -1- (tetrahydro-2H-pyran-2-yl) -1H-indazole is as follows:
First take an appropriate amount of 1- (tetrahydro-2H-pyran-2-yl) -1H-indazole-3-formaldehyde and place it in a clean reaction vessel. Slowly add pyridine-2-ylacetylene and an appropriate amount of alkali, such as potassium carbonate, to promote the reaction. The reaction needs to be protected by an inert gas, such as a nitrogen environment, heated to a suitable temperature, about 80 to 100 degrees Celsius, and continuously stirred for several hours.
In this process, the base can assist pyridine-2-ylacetylene to form carboanions, and then react with 1- (tetrahydro-2H-pyran-2-yl) -1H-indazole-3-formaldehyde nucleophilic addition reaction, followed by dehydration and other steps to generate (E) -3- [2- (pyridine-2-yl) vinyl] -1 - (tetrahydro-2H-pyran-2-yl) -1H-indazole. After
, the resulting product is re-placed in another reaction vessel, an appropriate amount of iodine source, such as iodine elemental substance, and an appropriate amount of oxidant, such as hydrogen peroxide, is added, and the reaction is carried out at a mild temperature of about 30 to 50 degrees Celsius. The oxidizing agent can promote the oxidation reaction of iodine elemental substance to form active iodine species, which react with (E) -3- [2- (pyridine-2-yl) vinyl] -1- (tetrahydro-2H-pyran-2-yl) -1H-indazole 6-position electrophilic substitution reaction. After several hours of reaction, (E) -6-iodine-3- [2- (pyridine-2-yl) vinyl] -1 - (tetrahydro-2H - Pyran-2-yl) -1H-indazole.
After the reaction is completed, the reaction mixture is cooled to room temperature and extracted with a suitable organic solvent such as dichloromethane. After the extraction solution is dried with anhydrous sodium sulfate, the solvent is removed by reduced pressure distillation, and then separated and purified by column chromatography, etc., the pure target product can be obtained.
What are the main uses of (E) -6-iodine-3- [2- (pyridin-2-yl) ethenyl] -1- (tetrahydro-2h-pyran-2-yl) -1h-indazole?
(E) -6-iodine-3- [2- (pyridine-2-yl) vinyl] -1- (tetrahydro-2H-pyran-2-yl) -1H-indazole, which is an organic compound. Its uses are quite extensive, in the field of medicinal chemistry, or as a key intermediate in drug development. Due to its unique molecular structure, it can be combined with other active groups by chemical synthesis to create new drugs with specific pharmacological activities, such as inhibitors or modulators for specific disease targets.
In the field of materials science, the compound may exhibit special optical, electrical or thermal properties. For example, in organic optoelectronic materials, its structure may affect the properties of the material such as charge transport and luminous efficiency, and then be used in the fabrication of organic Light Emitting Diodes (OLEDs), organic solar cells and other devices.
In the field of scientific research, it can also be used as a chemical probe to help scientists delve into chemical reaction mechanisms, molecular interactions in living organisms, etc. With its unique structure, specific molecules can be precisely tagged or located, providing a powerful tool for revealing the mysteries of complex biological processes and chemical transformations.
What are the properties of (E) -6-iodine-3- [2- (pyridin-2-yl) ethenyl] -1- (tetrahydro-2h-pyran-2-yl) -1h-indazole in chemical reactions?
(E) -6-Iodine-3- [2- (pyridine-2-yl) vinyl] -1- (tetrahydro-2H-pyran-2-yl) -1H-indazole This compound has many properties in chemical reactions.
Its structure contains iodine atoms, and the electronegativity and atomic radius of iodine have a great influence on the reactivity. Iodine atoms can be used as leaving groups, which can prompt nucleophiles to attack and form new bonds in nucleophilic substitution reactions. And because of its large atomic radius, the steric hindrance effect cannot be ignored, or it affects the reaction selectivity, causing the reaction to occur preferentially in a specific direction.
Pyridyl is an electron-rich aromatic ring, which is aromatic and basic. Due to the existence of the conjugate system, pyridyl can participate in electron delocalization, stabilize the reaction intermediate, and change the reaction process. Its basicity allows pyridyl nitrogen atoms to interact with protons or Lewis acids. This property may be critical in catalytic reactions or under specific conditions.
Vinyl has unsaturated double bonds and is active. The electron cloud density of the double bond is high, which is vulnerable to attack by electrophilic reagents and initiates addition reactions. And vinyl can be conjugated with pyridyl and indazole rings to expand the conjugation system, stabilize the molecule, and affect the distribution of molecular electron clouds, which has a profound impact on the reactivity and selectivity.
Tetrahydropyran is connected to the indazole ring, and the tetrahydropyran ring has a cyclic structure with certain rigidity and spatial conformation. It may affect the overall shape and spatial arrangement of the molecule, and then affect the intermolecular force, which may have an effect on substrate proximity, reaction rate and product configuration in the reaction. The indazole ring itself also contains nitrogen atoms, which may affect the acidity and alkalinity of the compound and its reactivity. Overall, the interaction of various parts in the structure of this compound determines its unique activity and selectivity in chemical reactions. In the field of organic synthesis, its characteristics may be a key element for creating novel reaction paths and preparing special structural products.