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Sodium 2-propylpentanoate

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Sodium 2-propylpentanoate Basic information
Sodium 2-propylpentanoate Chemical Properties
  • Melting point:300 °C
  • Density 1.0803 g/cm3
  • storage temp. 2-8°C
  • solubility H2O: 50 mg/mL
  • form Fine Powder
  • pka4.8(at 25℃)
  • color White
  • PH6.0~9.0 (50g/l, 25℃)
  • Water Solubility soluble
  • Merck 14,9913
  • InChIKeyAEQFSUDEHCCHBT-UHFFFAOYSA-M
  • CAS DataBase Reference1069-66-5(CAS DataBase Reference)
Safety Information
  • Hazard Codes Xn,T,Xi
  • Risk Statements 22-61-36/38-36/37/38
  • Safety Statements 36/37-53-45-37/39-26-36
  • RIDADR 2811
  • WGK Germany 3
  • RTECS YV7876000
  • HazardClass 6.1(b)
  • PackingGroup III
  • HS Code 29159000
  • ToxicityLD50 orally in mice: 1700 mg/kg (Meunier)
MSDS
Sodium 2-propylpentanoate Usage And Synthesis
  • Chemical PropertiesWhite Solid
  • OriginatorAnticon,Generics-UK,UK
  • UsesAntiepileptic; increases levels of GABA in the brain
  • Usesantibacterial
  • UsesAnticonvulsant
  • DefinitionChEBI: The sodium salt of valproic acid.
  • Manufacturing Process(a) Di-n-propyl cyanacetic acid First of all, a sodium n-propylate solution was prepared from 7.42 g (0.322 mol) of sodium and 180 ml of anhydrous n-propanol, by heating with gentle reflux until complete dissolution of the sodium.
    Into a 500 ml spherical flask, equipped with a dropping funnel, a mechanical stirrer, a thermometer and a condenser, above which was disposed a calcium chloride trap, were introduced 16.95 g (0.141 mol) of ethyl cyanacetate and 40.69 g (0.33 mol) of n-propyl bromide. This mixture was heated to 45°C and then there was added thereto, slowly and while stirring, the previously prepared solution of sodium n-propylate, keeping the temperature of the reaction medium at 50°-55°C by gentle external cooling.With the completion of the operation of introduction, the mixture was brought to reflux temperature in 30 minutes and kept at this temperature for 3 hours. The n-propanol was then distilled and the distillation stopped when the temperature of the residual mass had reached 115°C.
    The crude ester obtained in this way was then treated with a solution of 7.5 g of flaked sodium hydroxide in 67.5 ml of water. The mixture was introduced into a 250 ml spherical flask, equipped with a condenser, and then the reaction medium was slowly brought to 60°-70°C. This temperature was maintained for 3 hours, whereafter the mixture was cooled to about 50°C and the ethanol which had formed and the residue of n-propanol were eliminated under a pressure of 70 mm Hg. The solution thus obtained was cooled to 20°C and acidified, while stirring, by addition of 26.25 g of 36% hydrochloric acid. During this operation, the temperature of the reaction medium was kept below 40°C by cooling. Stirring was continued for 30 minutes, whereafter the mixture was left standing for 30 minutes. The oily layer of di-n-propyl cyanacetic acid was decanted and the aqueous phase extracted with 35 ml of toluene. The extract in toluene was then added to the decanted di-n-propyl cyanacetic acid, whereafter the solution in toluene was washed, in a separation funnel, with a solution of 1.5 g of sodium chloride in 14 ml of water. The toluenic phase was decanted and the toluene distilled under atmospheric pressure.
    Using this procedure, 25 g of crude di-n-propyl cyanacetic acid were obtained. (b) Di-n-propyl acetonitrile Into a 100 ml spherical flask fitted with a thermometer and a condenser were introduced 25 g of crude di-n-propyl cyanacetic acid obtained by the method previously described, and the mixture was heated on an oil bath. Decarboxylation commenced at a temperature in the region of 140°C. The mixture was refluxed at about 160°C and at 190°C for 2 hours. This temperature was maintained until the release of gas was completed, this taking 2 hours. The di-n-propyl acetonitrile thus formed was then slowly distilled and the fraction passing over between 165°C and 175°C was collected. A second distillation was then carried out. Using this procedure, 14.7 g of di-n-propyl acetonitrile were collected. Boiling point: 170°C. Yield: 83%, relatively to the ethyl cyanacetate used. Di-n-propyl acetonitrile may be saponifyed with equal molecular quantity of NaOH to give the desired valproic acid (valproate). After that it may be converted into the sodium salt with help of equivalent NaOH to give the valproate sodium.
  • brand nameDepacon (Abbott).
  • Therapeutic FunctionAnticonvulsant, Antiepileptic
  • Biological ActivityHistone deacetylase inhibitor (IC 50 = 400 μ M) that exhibits anticancer, anti-inflammatory and neuroprotective effects. Displays anticonvulsive activity via an increase in GABA levels and decreases A β production in animal models of Alzheimer's disease. Also attenuates NMDA-mediated excitation, blocks voltage-gated Na + channels and modulates firing of neurons. Enables induction of pluripotent stem cells from somatic cells by Oct4 and Sox2.
Sodium 2-propylpentanoate Preparation Products And Raw materials
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