Chemical Formula | C19H27F3N2O5 |
Molecular Weight | 420.42 |
Iupac Name | (1R,2S,5S)-6,6-dimethyl-3-[(3R)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid |
Chemical Formula | C18H26F3N3O5 |
Molecular Weight | 421.41 g/mol |
Iupac Name | (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid |
Physical State | Solid (usually) |
Appearance | White to off - white powder |
Solubility In Water | Low solubility |
Solubility In Organic Solvents | Soluble in some organic solvents like dichloromethane, DMSO |
Melting Point | Specific value would require experimental determination |
Chirality | Chiral compound with specified (1R,2S,5S) configuration |
Pka | Values related to carboxylic acid and potentially other acidic/basic groups would require experimental determination |
Chemical Formula | C18H26F3N3O5 |
Molecular Weight | 421.41 g/mol |
Iupac Name | (1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid |
Physical State | Solid (predicted) |
Solubility In Water | Low (predicted) |
Logp | Positive (lipophilic, predicted) |
Pka | Carboxylic acid pKa ~4 - 5 (predicted) |
Optical Activity | Optically active due to chiral centers |
Functional Groups | Carboxylic acid, azabicyclo[3.1.0]hexane, trifluoroacetyl, L - valyl |
Chemical Formula | C20H29F3N2O5 |
Molecular Weight | 420.45 |
Iupac Name | (1R,2S,5S)-6,6 - dimethyl - 3 - [3 - methyl - N - (trifluoroacetyl)-L - valyl]-3 - azabicyclo[3.1.0]hexane - 2 - carboxylic acid |
Physical State | Solid (usually) |
Solubility | Solubility depends on solvent, likely more soluble in organic solvents |
Appearance | Appearance may vary, typically a white to off - white powder |
Chirality | Chiral molecule with specific (1R,2S,5S) configuration |
Functional Groups | Carboxylic acid, trifluoroacetyl, azabicyclo, amide |
What is the chemical structure of (1R, 2S, 5S) -6,6 -dimethyl-3- [3 -methyl-N - (trifluoroacetyl) -L -valinyl] -3 -azabicyclic [3.1.0] hexane-2 -carboxylic acid?
There is a compound whose chemical name is\ ((1R, 2S, 5S) -6,6-dimethyl-3- [3-methyl-N - (trifluoroacetamido) -L-proamido] -3 -azabicyclic [3.1.0] hexane-2-carboxylic acid\). The structure of this compound is quite complex, let me explain it in detail for you.
Looking at its structure, the structure of azabicyclic [3.1.0] hexane is the core part. On this double ring, there is a carboxyl group at position 2, which gives it certain acidic properties. Position 3 is connected to [3-methyl-N- (trifluoroacetamido) -L-proamido]. In this fragment, the proamido group contains nitrogen atoms and has a certain alkalinity. The three-dimensional structure of proline is L-type, which affects the overall spatial conformation of the molecule; the fluorine atom in the trifluoroacetamido group has strong electronegativity, which has an electron-absorbing effect and changes the distribution of molecular electron clouds. The presence of 6,6-dimethyl groups adds dimethyl groups to the position 6 of the double ring, which affects the steric resistance and lipophilicity of the molecule. The interaction of many groups jointly determines the chemical properties and physical properties of the compound, making it unique in the fields of organic synthesis and medicinal chemistry.
What are the main uses of (1R, 2S, 5S) -6,6 -dimethyl-3- [3 -methyl-N - (trifluoroacetyl) -L -valinyl] -3 -azabicyclic [3.1.0] hexane-2 -carboxylic acid?
(1R, 2S, 5S) -6,6-dimethyl-3- [3-methyl-N- (trifluoroacetamido) -L-proline amido] -3 -azabicyclic [3.1.0] hexane-2 -carboxylic acid This compound has a wide range of uses. In the field of pharmaceutical chemistry, it is often a key intermediate in the synthesis of characteristic drugs. With its unique structure, it may introduce specific active groups to endow drugs with novel pharmacological activities. For example, when developing antiviral and anti-tumor drugs, use its structure to build a core skeleton, which helps the drug to accurately combine with the target and improve the efficacy. < Br >
In the context of organic synthetic chemistry, due to its significant chiral structure, it can act as a chiral aid and play a key role in asymmetric synthesis. It induces the reaction to proceed in a specific chiral direction, improves the optical purity of the product, and helps chemists obtain a single chiral configuration product. It is of great significance in the field of total synthesis of natural products.
And because of its structure containing various active groups such as nitrogen heterobicyclic and carboxyl groups, it may have potential uses in the field of materials science, or it can be introduced into polymer materials through chemical reactions, endowing materials with unique physical and chemical properties, such as improving material solubility and stability, providing possibilities for the creation of new functional materials.
(1R, 2S, 5S) -6,6 -dimethyl-3- [3 -methyl-N- (trifluoroacetyl) -L -valinyl] -3 -azabicyclic [3.1.0] What is the preparation method of hexane-2 -carboxylic acid?
To prepare (1R, 2S, 5S) -6,6-dimethyl-3- [3-methyl-N- (trifluoroacetamido) -L-valinamido] -3-azabicyclic [3.1.0] hexane-2-carboxylic acid, the following ancient method can be used.
First, a suitable starting material is taken, and the target molecular structure is gradually constructed by specific reaction steps. The starting material is cleverly selected to guide the reaction in the expected direction due to its functional groups and reactivity.
The first step is to perform a specific chemical transformation on the raw material to introduce key substituents. This step requires precise control of the reaction conditions, such as temperature, solvent, and catalyst dosage. If the temperature is too high, the reaction will be out of control, and if it is too low, the reaction will be slow. Therefore, precise control is required to make the reaction occur within the optimal temperature range. The choice of solvent is also crucial, as it affects the solubility and reaction rate of the reactants.
The second step is to construct a bilicyclic structure through a carefully designed reaction path. This process requires the help of specific reagents and reaction techniques to ensure that the stereochemistry of the bilicyclic structure meets the target requirements, that is, to achieve the specific configuration of (1R, 2S, 5S). The key to this step lies in a deep understanding of the reaction mechanism and fine regulation of the reaction conditions.
Furthermore, complex substituents such as dimethyl and fluorine-containing and amide groups are introduced. This process requires careful selection of reaction sequence and reaction conditions to avoid unnecessary side reactions. After each step of the reaction, suitable separation and purification methods, such as column chromatography, recrystallization, etc., are required to ensure the purity of the product.
In this way, (1R, 2S, 5S) -6,6-dimethyl-3- [3-methyl-N- (trifluoroacetamido) -L-valinamido] -3-azabicyclo [3.1.0] hexane-2-carboxylic acid can be prepared by multiple steps of delicate chemical operation. However, each step of the reaction requires the experimenter to be careful and precise in order to obtain satisfactory results.
What are the physicochemical properties of (1R, 2S, 5S) -6,6 -dimethyl-3- [3 -methyl-N - (trifluoroacetyl) -L -valinyl] -3 -azabicyclic [3.1.0] hexane-2 -carboxylic acid?
(1R, 2S, 5S) -6,6-dimethyl-3- [3-methyl-N- (trifluoroacetamido) -L-proline amido] -3 -azabicyclic [3.1.0] hexane-2 -carboxylic acid is an organic compound. This compound is weakly basic and can bind protons with nitrogen-containing groups such as lactam and amino groups due to its structure. Its acidity is derived from the carboxyl group, which can give protons to exhibit acidity under suitable conditions.
This compound also has certain hydrophilicity. The carboxyl group and amide group can form hydrogen bonds with water to improve solubility in water; but the hydrophobic groups such as methyl group and trifluoroethyl group in the molecule limit the overall hydrophilicity. Because the structure contains multiple chiral centers and has optical activity, the enantiomers of different configurations may have significant differences in physiological activity and physicochemical properties. The dicyclo and amide, carboxyl group and other groups in its structure make the chemical properties stable and are not easy to decompose under common conditions, but under specific reagents and conditions, the carboxyl group and amide group can undergo substitution, hydrolysis and other reactions.
(1R, 2S, 5S) -6,6 -dimethyl-3- [3 -methyl-N - (trifluoroacetyl) -L -valinyl] -3 -azabicyclic [3.1.0] What is the market outlook for hexane-2 -carboxylic acid?
(1R, 2S, 5S) -6,6-dimethyl-3- [3-methyl-N- (trifluoroacetamido) -L-proline amide] -3 -azabicyclic [3.1.0] hexane-2 -carboxylic acid, the market prospect of this compound is related to many factors.
Looking at its chemical structure, it contains special dicyclic and amide groups, or has unique chemical and biological activities. In the field of medicine, such structures are often the basis for the development of new target drugs. If it has high affinity and selectivity for specific disease-related targets, such as acting on certain tumor cells or neurotransmitter targets, after in-depth pharmacological research and clinical trials, or into new specific drugs, the prospects are quite promising.
In the chemical industry, it can be used as a chiral adjuvant or catalyst to assist asymmetric synthesis reactions. If it can demonstrate high catalytic activity and selectivity, it can reduce production costs and improve product quality when synthesizing high value-added chiral compounds, and the market demand is large.
However, its market prospects are also challenged. R & D costs are high, and from compound discovery to drug launch, multiple rounds of experiments and approvals are required, which consume a lot of money and time. Competitors or have launched similar products to occupy the market, if they cannot highlight the advantages in performance and cost, it is difficult to win the favor of the market. Regulations and policies strictly regulate pharmaceutical and chemical products, and must meet various safety and Quality Standards, compliance costs or affect marketing activities.