33786-47-9

Basic information

• Product Name: 2-N-PROPYL-2(E)-PENTENOICACID
• Synonyms: 2-N-PROPYL-2(E)-PENTENOICACID;(2E)-2-Propyl-2-pentenoic acid;(E)-2-En-vpa;2-Pentenoic acid, 2-propyl-, (E)-;delta-2(E)-Valproate;E-2-En-valproic acid;trans-2-Ene-valproic acid;trans-2-Propyl-2-pentenoic acid
• CAS NO: 33786-47-9
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.2
• Mol File: 33786-47-9.mol
• Article Data: 9

Chemical Properties

• Melting Point: 38-40 °C
• Boiling Point: 242.9°Cat760mmHg
• Flash Point: 149.8°C
• Appearance: /
• Density: 0.956g/cm³
• Vapor Pressure: 0.0109mmHg at 25°C
• Refractive Index: 1.458
• PKA: 5.00±0.19(Predicted)
• CAS DataBase Reference: 2-N-PROPYL-2(E)-PENTENOICACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-N-PROPYL-2(E)-PENTENOICACID(33786-47-9)
• EPA Substance Registry System: 2-N-PROPYL-2(E)-PENTENOICACID(33786-47-9)

Safety Data

• Hazardous Substances Data: 33786-47-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+

Upstream product

• 63718-45-6 2-propyl-2-pentenoic acid ethyl ester 
• 99174-91-1 2-bromo-2-propyl pentanoic acid ethyl ester 
• 123-19-3 4-heptanone 
• 78435-49-1 methyl (E)-2-propyl-2-pentenoate 
• 3639-22-3 2,2-dipropylglycolic acid 

Downstream Products

• 33786-53-7 (E)-2-Propyl-2-pentensaeure-(p-isopropylphenyl)ester 
• 615-83-8 2-bromo-pentanoic acid ethyl ester 
• 63718-45-6 2-propyl-2-pentenoic acid ethyl ester 

Relevant articles and documents

Examining the correlations between GSK-3 inhibitory properties and anti-convulsant efficacy of valproate and valproate-related compounds

A family of compounds based upon the chemical structure of valproate were synthesized and assayed for their ability to inhibit glycogen synthase kinase (GSK)-3 α and β activity in vitro. A family of compounds based upon the chemical structure of valproate were synthesized and assayed for their ability to inhibit glycogen synthase kinase (GSK)-3 α and β activity in vitro. This data is correlated to the known anti-convulsant properties of these compounds in order to determine the potential role of GSK-3 inhibition in the therapeutic efficacy of these drugs.

Process for preparing (E)-2-propyl-2-pentenoic acid and intermediate compounds

Composition consisting of a mixture of (E) and (Z) isomers of esters of general formula: STR1 in which R represents a C1 -C4 alkyl radical, containing at least 85% of (E) isomer. A process for preparing such a composition. The use of such a composition for preparing (E)-2-propyl-2-pentenoic acid of formula: STR2 and also its pharmaceutically acceptable salts.

Process for the preparation of E-2-propyl-2-pentenoic acid and physiologically compatible salts thereof

A novel process for the preparation of E-2-propyl-2-pentenoic acid, as well as the physiologically compatible salts thereof is described, in which 2-bromo-2-propyl-pentenoic acid ethyl ester is used as the starting compound. The bromine is split off with a cyclic tertiary amine in acetonitrile as the solvent and preferably the E-isomer of the ethyl ester is formed. The free acid is obtained by subsequent saponification under careful conditions and optionally, preferably using the corresponding carbon dioxide salts in aqueous acetone solution, is converted into the salt form.