Pure Sevoflurane CAS 28523-86-6

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.

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.

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.

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.

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.