Chemical Name | 1-{(1R)-3-[5-(4-fluorobenzyl)thiophen-2-yl]-1-methylprop-2-yn-1-yl}-1-hydroxyurea |
Molecular Formula | C17H16FN3O2S |
Molecular Weight | 345.39 |
Physical State | Unknown |
Melting Point | Unknown |
Boiling Point | Unknown |
Solubility | Unknown |
Density | Unknown |
Appearance | Unknown |
Pka | Unknown |
Chemical Formula | C15H15FN2O2S |
Molecular Weight | 306.35 |
Physical State | Solid (predicted) |
Solubility In Water | Low solubility (predicted) |
Logp | 2.5 (predicted) |
What is the chemical structure of 1- { (1R) -3- [5- (4-fluorobenzyl) thiophen-2-yl] -1-methylprop-2-yn-1-yl} -1-hydroxyurea?
1-% {+ (1R) -3- [5- (4-fluorobenzyl) thiophene-2-yl] -1 -methylpropyl-2-alkyne-1-yl} -1 -hydroxyurea The chemical structure of this compound is derived from the basic structure of urea. The structure of urea is\ (H_2NCONH_2\), in which one hydrogen atom is replaced by a specific substituent.
View its substituent moiety, (1R) -3- [5- (4-fluorobenzyl) thiophene-2-yl] -1 -methylpropane-2-alkyne-1-group, which is based on propylene-2-alkyne-1-group as the skeleton. Propane-2-alkyne-1-group is a structure containing three bonds, that is,\ (- C ≡ C - CH_2 -\). On this skeleton, position 1 is connected with 1-methyl, that is,\ (- CH_3\), and position 3 is connected with a complex group.
This complex group has a thiophene ring as the core, and the thiophene ring is a sulfur-containing five-membered heterocyclic ring. At position 5 of the thiophene ring is connected with 4-fluorobenzyl, and 4-fluorobenzyl is benzyl (\ (- CH_2 -\) connected to the benzene ring). Position 4 is replaced by a fluorine atom, that is,\ (- CH_2 - C_6H_4 - F\) (the fluorine atom is located at position 4 of the benzene ring).
Overall, the chemical structure of 1-% {+ (1R) -3- [5- (4-fluorobenzyl) thiophene-2-yl] -1 -methylpropyl-2-alkyne-1-yl} -1 -hydroxyurea is based on urea and modified with specific substituents, showing a relatively complex organic compound structure. The partial groups are connected to each other, giving the compound specific chemical and physical properties.
What are the main physical properties of 1- { (1R) -3- [5- (4-fluorobenzyl) thiophen-2-yl] -1-methylprop-2-yn-1-yl} -1-hydroxyurea?
1 - { (1R) -3 - [5 - (4 - fluorobenzyl) thiophen - 2 - yl] - 1 - methylprop - 2 - yn - 1 - yl} - 1 - hydroxyurea is an organic compound. Its main physical properties are as follows:
This compound may be solid under normal conditions, but due to lack of exact data, it is difficult to determine its appearance details, either powdery or crystalline. Melting point is also unknown due to the lack of specific research data. Melting point, as an inherent characteristic of a substance, is crucial for its purity identification and phase transition research.
There is no relevant information on the boiling point. The boiling point is closely related to the intermolecular forces. Predicting the boiling point of this compound is quite challenging due to the presence of multiple functional groups and the complex intermolecular forces.
Solubility is related to the solubility of the compound in different solvents. In view of the fact that there are polar groups such as hydroxyl and urea groups in its structure, it may have certain solubility in polar solvents (such as water and alcohols); it also contains non-polar parts such as sulfur heterocycles and fluorobenzyl groups, and its solubility in non-polar solvents (such as alkanes and aromatics) may be limited. However, the specific degree of solubility still needs to be determined experimentally.
Density is also not clearly reported. Density is related to molecular mass and molecular packing method. The structure of this compound is complex, and accurate prediction of density requires detailed crystal structure or experimental determination.
Due to its unique physical properties, this compound may have potential application value in the fields of organic synthesis and drug development. Although there is no exact data on many physical properties, its structural characteristics provide important clues for the study of its properties and applications.
What are the synthesis methods of 1- { (1R) -3- [5- (4-fluorobenzyl) thiophen-2-yl] -1-methylprop-2-yn-1-yl} -1-hydroxyurea?
To prepare 1 - { (1R) -3 - [5- (4-fluorobenzyl) thiophene-2-yl] -1 -methylpropane-2-alkyne-1-yl} -1 -hydroxyurea, the method is as follows:
First take appropriate starting materials, such as thiophene derivatives with specific substituents and compounds containing alkynyl groups and methyl groups, and connect the two with suitable organic synthesis strategies. Or the coupling reaction catalyzed by transition metals, such as palladium-catalyzed cross-coupling, can effectively combine the specific position on the thiophene with the alkynyl compound to form a key carbon-carbon bond, and construct the propyne structure containing the desired substituent.
Then, the resulting intermediate is modified to introduce a hydroxyurea group. Under suitable reaction conditions, such as the presence of specific temperature, solvent and base, the reaction with the above intermediates can be carried out by suitable reaction reagents, such as active reagents containing hydroxyurea fragments, to connect the hydroxyurea group to the target molecule, and complete the synthesis of 1 - { (1R) -3 - [5- (4-fluorobenzyl) thiophene-2-yl] -1 -methylpropyl-2-alkyne-1-yl} -1 -hydroxyurea.
Each step of the reaction requires fine regulation of the reaction conditions and monitoring of the reaction process to ensure the purity and yield of the product. At the same time, the structure of the intermediate and the final product needs to be confirmed by means of spectral analysis to obtain the target compound.
1- { (1R) -3- [5- (4-fluorobenzyl) thiophen-2-yl] -1-methylprop-2-yn-1-yl} -1-hydroxyurea is used in what fields?
1-% {+ (1R) -3- [5- (4-fluorobenzyl) thiophene-2-yl] -1-methylpropyl-2-alkyne-1-yl} -1-hydroxyurea, this compound may have extraordinary uses in the field of medicine. According to "Tiangong Kaiwu", all things in the world have their own unique properties and uses, and this compound is no exception.
In the field of drug development, it may be used as a potential lead compound. Drug development, such as "Tiangong Kaiwu", requires careful selection of suitable materials. The unique structure of this compound may be combined with specific targets in the body, like tenon and mortise, to exert pharmacological effects. It may act on certain disease-related signaling pathways, affect cell growth, differentiation and apoptosis, and then bring hope for disease treatment, such as the development of anti-cancer drugs, targeting abnormal signal transduction of cancer cells, this compound may become a key "key" to open the door to conquering cancer.
In the field of organic synthesis, it also has its value. Just like the complex process recorded in "Tiangong Kaiji", organic synthesis requires exquisite design and operation. The structural characteristics of this compound may provide new ideas for synthetic chemistry. As an important synthetic intermediate, it helps to synthesize more organic compounds with special properties, expand the boundaries of organic synthesis, and enrich the variety of organic compounds.
In the field of materials science, it may also make a name for itself. " "Tiangong Kaiwu" mentions that the properties of materials determine their uses. If this compound has special electrical, optical or mechanical properties, it can be properly designed and processed, or it can be applied to the preparation of new materials, such as functional polymer materials, which will contribute to the development of materials science.
What are the safety and toxicity of 1- { (1R) -3- [5- (4-fluorobenzyl) thiophen-2-yl] -1-methylprop-2-yn-1-yl} -1-hydroxyurea?
1-% {+ (1R) -3- [5- (4-fluorobenzyl) thiophene-2-yl] -1-methylpropane-2-alkyne-1-yl} -1-hydroxyurea, the safety and toxicity of this substance are related to the safety of life, and it is a crucial issue.
However, I have searched ancient books and classics, but it is difficult to find a detailed record of this substance. Although modern technology is prosperous and chemical research is advanced, it is difficult for me to judge the compound with this specific structure based on past experience.
Generally speaking, to clarify its safety and toxicity requires complicated experiments. The first is an animal experiment, which selects different kinds of animals and subjects them to observe the changes in their physiological functions and behavioral habits, and carefully observe whether there are any adverse reactions, such as organ damage, abnormal growth, and behavioral disorders. The second is a cell experiment, which takes different cell lines as the object to explore the effects of this substance on cell proliferation, apoptosis, and metabolism.
Without the support of detailed experimental data, it is not wise to speculate on its safety and toxicity. We should adopt a cautious attitude and wait for scientific experiments to reveal the truth before we can understand the advantages and disadvantages of this substance in the world, so as to ensure the safety of all beings and not risk it rashly.