2-Propenoicacid, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, [4S-[4a(E),7b,7aa]]- Indene-4-acrylic acid, 2,4,5,6,7,7a-hexahydro-a,3,7-trimethyl- (7CI,8CI) 3569-10-6
VALERENIC ACID Basic information
Product Name: VALERENIC ACID
Synonyms: VALERENIC ACID;VALERENIC ACID WITH HPLC;(E)-3-[(4S)-2,4,5,6,7,7aα-Hexahydro-3,7β-dimethyl-1H-inden-4-yl]-2-methylpropenoic acid;(2E)-3-[(4S,7R,7aR)-2,4,5,6,7,7a-Hexadydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-2-propenoic acid;2-Propenoic acid, 3-(2,4,5,6,7,7A-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4alpha(E),7beta,7aalpha))-;Valerenic Acid (15 mg);VALERENIC ACID(P);VALERENIC ACID SNAP-N-SHOOT 0.1mg/mL(P)
CAS: 3569-10-6
MF: C15H22O2
MW: 234.33
EINECS:
Product Categories: Plant Oils, Toxins, Phenolic Acids & Derivatives;Natural Plant Extract;Organic AcidsAnalytical Standards;Alphabetic;Chromatography;Food&Beverage Standards;V
Mol File: 3569-10-6.mol
VALERENIC ACID Chemical Properties
Melting point 134-139°C
Boiling point 374.5±21.0 °C(Predicted)
density 1.06±0.1 g/cm3(Predicted)
storage temp. −20°C
solubility Chloroform (Slightly), Ethanol (Slightly),Methanol (Slightly)
pka 4.88±0.19(Predicted)
form Solid
color White to Off-White
BRN 3138020
LogP 5.188 (est)
CAS DataBase Reference 3569-10-6(CAS DataBase Reference)
Safety Information
WGK Germany 3
RTECS UD3357700
F 8-10
HS Code 2916205000
VALERENIC ACID Usage And Synthesis
Uses Valerenic Acid, acts as a subtype-selective GABAA receptor agonist in neonatal rat brainstem preparations. It can be used for the synthesis of Valerena-4,7(11)-diene, a highly active sedative.
Definition ChEBI: A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant.
Biological Activity Positive allosteric modulator of GABA A receptors that displays preference for receptors containing β 2 or β 3 subunits. Directly activates the receptor and also blocks the channel at high concentrations. Displays a sedative and anxiolytic activity in vivo . Also acts as a partial agonist of 5-HT 5A receptors.
VALERENIC ACID Preparation Products And Raw materials
Preparation Products 1-Pentanol-->Valeronitrile-->Ethyl valerate-->Valeryl chloride
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