Description

Pure sevoflurane, chemical name 1,1,1,3,3-hexafluoro-2- (fluoromethoxy) propane, is an organic compound with the chemical formula C4H3F7O, CAS 28523-86-6, and a molecular weight of approximately 200.05. A colorless, transparent, non irritating liquid that appears oily at room temperature and has low volatility. Its appearance is clear and free of any impurities or suspended solids, ensuring its purity in medical use. The vapor pressure will also increase. For example, the vapor pressure is about 157mmHg at 20 ℃, 197mmHg at 25 ℃, and 317mmHg at 36 ℃. This temperature dependent vapor pressure characteristic is crucial for its use in anesthesia machines. The distribution coefficient in different media is also one of its important physical properties. For example, at 25 ℃, the distribution coefficient in blood/air is 0.63-0.69, which means its solubility in blood is relatively low but sufficient to achieve effective anesthesia effects. Meanwhile, the distribution coefficient in olive oil/gas is relatively high (47-54), which facilitates its distribution and storage in adipose tissue. This compound is mainly used as an inhaled anesthetic in the medical field and is widely used in general anesthesia. Our company’s products are for laboratory use only.

Chemical Formula

C4H3F7O

Exact Mass

200.01

Molecular Weight

200.06

m/z

200.01 (100.0%), 201.01 (4.3%)

Elemental Analysis

C, 24.02; H, 1.51; F, 66.48

Pure sevoflurane is a new type of general anesthetic with excellent performance. Compared with conventional anesthetics, sevoflurane has the advantages of non flammability, short induction period, fast recovery, strong metabolic ability, basic non toxicity to the human body, and no side effects. It is an ideal general anesthetic. Our laboratory has adopted a new synthetic route to synthesize sevoflurane, solving a series of problems that existed in previous synthetic routes. The synthesis route mainly includes five steps, and the process of each step is optimized in the following text, and the results obtained are theoretically discussed. The optimized reaction process for each step is as follows.

Step 1: Synthesis of Hexafluorothione Dimer

Optimization point:

Choosing KF as a catalyst, its strong alkalinity helps promote the formation of sulfur ketones while avoiding the use of more dangerous or corrosive catalysts.

The reaction temperature of 40 ℃ is moderate, which ensures the reaction rate and avoids potential side reactions caused by high temperatures. DMF, as a solvent, has good solubility and stability that facilitate the reaction.

Theoretical exploration:

Hexafluoropropene and dimethylformamide may undergo sulfurization reaction under KF catalysis to form hexafluorothione, which may then form dimers through weak interactions such as hydrogen bonding or van der Waals forces between hexafluorothione molecules.

The reason for the high yield may be due to mild reaction conditions, reasonable catalyst selection, and good solvent solubility for reactants and products.

Step 2: Oxidation of Hexafluorothione Dimer

Optimization point:

Using KIO3 as an oxidant, it has strong oxidizing properties and is easy to control, and can quantitatively oxidize hexafluorothioketone dimer to hexafluoroacetone.

Theoretical exploration:

During the oxidation process, KIO3 may act as an electron acceptor, taking electrons from the hexafluorothione dimer to form thione radicals or ions, which are then further converted into hexafluoroacetone.

Due to quantitative oxidation, the conversion rate of reactants and product selectivity are both high.

Step 3: Hydroreduction of Hexafluoroacetone

Optimization point:

Choosing 5% Pd-C as the catalyst has high catalytic activity and is easy to recycle and reuse.

The reaction temperature of 90 ℃ and the pressure of 0.9MPa provide suitable kinetic conditions for the hydrogenation reduction reaction.

A reaction time of 3 hours ensures the complete progress of the reaction while avoiding potential side reactions that may occur due to prolonged exposure.

Theoretical exploration:

Under Pd-C catalysis, hydrogen molecules are activated and dissociated into hydrogen atoms, which then attack the carbonyl carbon of hexafluoroacetone to form alcohol hydroxyl groups, thereby generating hexafluoroisopropanol.

The reason for high yield may be due to high catalyst activity, suitable reaction conditions, and proper control of reaction time.

Step 4: Chloromethylation reaction of hexafluoroisopropanol

Note: There may be a misunderstanding in this step description, as hexafluoroisopropanol is usually not directly converted into hexafluoroisopropyl chloroform alkyl ether through chloromethylation reaction. This step may require adjustments or the use of other reaction pathways.

Assumption adjustment: If the goal is to introduce chloromethyl through some means, it may be necessary to use other reagents (such as methyl chloroformate, etc.) for esterification or similar reactions, followed by hydrolysis or other transformations.

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Step 5: Preparation of Sevoflurane by Halogen Exchange Reaction

Optimization point:

The good solubility and stability of PEG-400 as a solvent contribute to the progress of the reaction.

KF, as a fluorinating agent, can effectively promote halogen exchange reactions.

The reaction temperature of 95 ℃ and the reaction time of 2.5 hours ensure the efficient progress of the reaction.

Theoretical exploration:

Under the action of KF, the chlorine atom in hexafluoroisopropyl chloroform alkyl ether (or its adjusted analogues) is replaced by fluorine atoms, resulting in the formation of sevoflurane.

The reason for the high yield may be due to the optimization of reaction conditions, strong activity of fluorinating agents, and good solubility of solvents for reactants and products.

Pure Sevoflurane is a fluoride inhalation anesthetic. Induction, with sevoflurane and oxygen or oxygen · nitrous oxide mixed induction. In addition, sevoflurane and oxygen or oxygen can also be used after giving intravenous anesthetics.

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Nitrous oxide mixed induction. The induced concentration of this product is usually 0.5 ~ 5.0%. Maintenance, usually mixed with oxygen or oxygen · nitrous oxide. According to the situation of patients, the minimum effective concentration is used to maintain the anesthesia state, usually less than 4.0%

Pharmacological characteristics

Induction and awakening:

Sevoflurane has the characteristic of rapid induction. After inhaling 4% concentration of sevoflurane, the patient’s consciousness can disappear after about 2 minutes of induction through an oxygen mask inhalation. At the same time, its awakening is relatively fast, thanks to its lower blood/gas partition coefficient (such as 0.63 or 1.71 mentioned in some data), which makes the distribution and elimination of sevoflurane in the body more rapid. This characteristic makes sevoflurane highly controllable and predictable in clinical anesthesia.

The impact on the cardiovascular system:

Sevoflurane has a relatively small effect on the cardiovascular system, and its impact on heart rate is not significant. The decrease in arterial pressure is mainly due to cardiac depression, reduced cardiac output, and vasodilation. During the anesthesia maintenance phase, appropriate concentrations of sevoflurane can maintain stable cardiovascular function and are suitable for high concentration inhalation. In addition, sevoflurane also has a certain myocardial protective effect, as studies have found that it can reduce the occurrence of cardiac events in surgeries such as coronary artery bypass grafting.

Respiratory system effects:

Sevoflurane has minimal irritation to the respiratory tract and can relax airway smooth muscles, making it more comfortable and safe during inhalation induction. Meanwhile, its lower solubility also reduces the risk of producing respiratory secretions during anesthesia.

Central nervous system function:

The anesthetic effect of sevoflurane is mainly achieved by binding to receptors on the nerve cell membrane, inhibiting neuronal excitation conduction, and thereby blocking sensation, movement, and perception. Its anesthetic effect starts from the cortex and gradually spreads to the medulla oblongata, ultimately leading to loss of consciousness, disappearance of bodily reflexes, and inhibition of the respiratory center. The anesthetic effect of sevoflurane is positively correlated with its lipophilicity, solubility, and cerebral blood flow, and negatively correlated with partial pressure of oxygen.

Molecular mechanism:

One of the anesthetic mechanisms of sevoflurane is to enhance the inhibitory effect of gamma aminobutyric acid (GABA) type A receptor (GABAAR). GABAAR is a pentameric ion channel that mediates inhibitory neurotransmission. Sevoflurane mainly interacts with the β 3 subunit in GABAAR, enhancing receptor activation and desensitization mediated by the β 3 subunit, thereby increasing the affinity between GABA and receptors, channel opening frequency, and channel opening time, leading to increased chloride ion influx and neuronal hyperpolarization, ultimately inhibiting nerve signal transmission and producing anesthetic effects.

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