1. Guys I am goin ape shit with this one
-Down the hole we go-
1. Eugenol conversion to 2-oxo-PCE: Eugenol is a natural phenolic compound that is found in clove oil and other plants. It can be converted to 2-oxo-PCE, a novel dissociative anesthetic and ketamine analogue, by a three-step synthesis involving oximation, nucleophilic substitution, and reductive amination
2.
3. Convert eugenol to eugenol oxime by reacting it with hydroxylamine in an acidic medium (citric acid)?. This is similar to the synthesis of aldoximes from alkenes via Rh-catalysed hydroformylation, except that eugenol already has an aldehyde group1.
4. This step can be performed under microwave irridation at 150 c; for 5 min, with 300 w max.
5. | Citric Acid can enhance the reaction rate and yield of the oximation by providing protons and coordinating with the hydroxyl amine salt. https://en.wikipedia.org/wiki/2-Oxo-PCE
6.
7. Convert eugenol oxime to 3’-hydroxy-2-oxo-PCE by reacting it with 2-chloroethylamine in a basic medium. This is a nucleophilic substitution reaction, where the hydroxyl group of the oxime is replaced by the amino group of the chloroethylamine. (Possibly using mandelic acid derived 2-chloroethylamine which is an alternative organochloride that can react with eugenol oxime to give 3’-hydroxy-2-oxo-PCE. |Mandelic acid is an alpha hydroxy acid that is found in almonds, cherries apricots.| Mandelic acid can be converted 2-chloroethylamine by reacting it with thionyl chloride and ammonia.https://link.springer.com/article/10.1007/s11164-023-05032-4
8. | This step can be performed under microwave irradiation at 180 °C for 10 minutes, with a maximum power output of 400 W. The reaction can be monitored by TLC or NMR spectroscopy. The product can be isolated by crystallization or chromatography
9.
10. Convert 3’-hydroxy-2-oxo-PCE to hydroxetamine by reducing it with sodium borohydride in methanol. This is a reductive amination reaction, where the ketone group of the 2-oxo-PCE is reduced to an amine group, forming hydroxetamine.
11. (Alternatively)
12.
13. Convert 3’-hydroxy-2-oxo-PCE to hydroxetamine by reducing it with biocatalysts, such as transaminases or imine reductases, in the presence of glucose or ammonia as the source of hydrogen or nitrogen.
14. |This step can be performed under microwave irradiation at 100 °C for 15 minutes, with a maximum power output of 200 W. The reaction can be monitored by TLC or NMR spectroscopy. The product can be isolated by filtration or extraction56
|(another alternative for this step )
•
• Hydrogen and metal catalysts: This is the preferred reductant for reductive amination, as it avoids the use of stoichiometric reducing agents and produces water as the only by-product. However, this method may require high pressure and temperature, and the choice of catalyst may affect the selectivity and yield of the reaction1. Some of the metal catalysts that can be used for reductive amination are derived from natural alkaloids, such as nickel from nicotinic acid or cobalt from cobalamin.
• Biocatalysts: These are enzymes or microorganisms that can catalyze reductive amination reactions under mild conditions and with high enantioselectivity. They can use cheap and renewable substrates such as glucose or ammonia as the source of hydrogen or nitrogen. However, they may have limited substrate scope and stability, and they may require cofactors or additives1. Some of the biocatalysts that can be used for reductive amination are derived from natural alkaloids, such as transaminases from pyridoxal phosphate or imine reductases from NADPH.
Nanoparticle-catalyzed synthesis: This is a method that uses nanoparticles as catalysts for reductive amination reactions. Nanoparticles have high surface area, unique physical and chemical properties, and tunable activity and selectivity. Nanoparticles can also be recycled and reused in some cases. Some of the nanoparticles that can be used for reductive amination are derived from natural alkaloids, such as gold nanoparticles from curcumin or iron oxide nanoparticles from bacillus simplex bacteria
-And finally you have HXE which is a legal parent compound to MXE. Plz comment your choices and feedback on corrections towards bio/greener organochemistry principles and paths after experiments procedures because I literally 3 day in a rowed this with out sleep or stop before I lost thought process.
When it’s confirmed good and improved
-Down the hole we go-
1. Eugenol conversion to 2-oxo-PCE: Eugenol is a natural phenolic compound that is found in clove oil and other plants. It can be converted to 2-oxo-PCE, a novel dissociative anesthetic and ketamine analogue, by a three-step synthesis involving oximation, nucleophilic substitution, and reductive amination
2.
3. Convert eugenol to eugenol oxime by reacting it with hydroxylamine in an acidic medium (citric acid)?. This is similar to the synthesis of aldoximes from alkenes via Rh-catalysed hydroformylation, except that eugenol already has an aldehyde group1.
4. This step can be performed under microwave irridation at 150 c; for 5 min, with 300 w max.
5. | Citric Acid can enhance the reaction rate and yield of the oximation by providing protons and coordinating with the hydroxyl amine salt. https://en.wikipedia.org/wiki/2-Oxo-PCE
6.
7. Convert eugenol oxime to 3’-hydroxy-2-oxo-PCE by reacting it with 2-chloroethylamine in a basic medium. This is a nucleophilic substitution reaction, where the hydroxyl group of the oxime is replaced by the amino group of the chloroethylamine. (Possibly using mandelic acid derived 2-chloroethylamine which is an alternative organochloride that can react with eugenol oxime to give 3’-hydroxy-2-oxo-PCE. |Mandelic acid is an alpha hydroxy acid that is found in almonds, cherries apricots.| Mandelic acid can be converted 2-chloroethylamine by reacting it with thionyl chloride and ammonia.https://link.springer.com/article/10.1007/s11164-023-05032-4
8. | This step can be performed under microwave irradiation at 180 °C for 10 minutes, with a maximum power output of 400 W. The reaction can be monitored by TLC or NMR spectroscopy. The product can be isolated by crystallization or chromatography
9.
10. Convert 3’-hydroxy-2-oxo-PCE to hydroxetamine by reducing it with sodium borohydride in methanol. This is a reductive amination reaction, where the ketone group of the 2-oxo-PCE is reduced to an amine group, forming hydroxetamine.
11. (Alternatively)
12.
13. Convert 3’-hydroxy-2-oxo-PCE to hydroxetamine by reducing it with biocatalysts, such as transaminases or imine reductases, in the presence of glucose or ammonia as the source of hydrogen or nitrogen.
14. |This step can be performed under microwave irradiation at 100 °C for 15 minutes, with a maximum power output of 200 W. The reaction can be monitored by TLC or NMR spectroscopy. The product can be isolated by filtration or extraction56
|(another alternative for this step )
•
• Hydrogen and metal catalysts: This is the preferred reductant for reductive amination, as it avoids the use of stoichiometric reducing agents and produces water as the only by-product. However, this method may require high pressure and temperature, and the choice of catalyst may affect the selectivity and yield of the reaction1. Some of the metal catalysts that can be used for reductive amination are derived from natural alkaloids, such as nickel from nicotinic acid or cobalt from cobalamin.
• Biocatalysts: These are enzymes or microorganisms that can catalyze reductive amination reactions under mild conditions and with high enantioselectivity. They can use cheap and renewable substrates such as glucose or ammonia as the source of hydrogen or nitrogen. However, they may have limited substrate scope and stability, and they may require cofactors or additives1. Some of the biocatalysts that can be used for reductive amination are derived from natural alkaloids, such as transaminases from pyridoxal phosphate or imine reductases from NADPH.
Nanoparticle-catalyzed synthesis: This is a method that uses nanoparticles as catalysts for reductive amination reactions. Nanoparticles have high surface area, unique physical and chemical properties, and tunable activity and selectivity. Nanoparticles can also be recycled and reused in some cases. Some of the nanoparticles that can be used for reductive amination are derived from natural alkaloids, such as gold nanoparticles from curcumin or iron oxide nanoparticles from bacillus simplex bacteria
-And finally you have HXE which is a legal parent compound to MXE. Plz comment your choices and feedback on corrections towards bio/greener organochemistry principles and paths after experiments procedures because I literally 3 day in a rowed this with out sleep or stop before I lost thought process.
When it’s confirmed good and improved
