(3,4-Dimethoxyphenyl)acetic acid

(3,4-Dimethoxyphenyl)acetic acid Basic information
Product Name:(3,4-Dimethoxyphenyl)acetic acid
Synonyms:3,4-Dimethoxyphenylacetic acid,3,4-Dimethoxyphenylacetic acid, Homoveratric acid;4-DiMethoxyphenylacetic acid;2-(3,4-DiMethoxyphenyl)acetate;(3,4-DiMethoxyphenyl)acetic acid, 99% 100GR;(3,4-DiMethoxyphenyl)acetic acid, 99% 25GR;(3,4-DiMethoxyphenyl)acetic acid, 99% 500GR;NSC 2753;NSC 27897
CAS:93-40-3
MF:C10H12O4
MW:196.2
EINECS:202-244-5
Product Categories:Catechol Derivatives;Aromatic Phenylacetic Acids and Derivatives;Aromatics, Metabolites & Impurities, Neurochemicals, Pharmaceuticals, Intermediates & Fine Chemicals;Inhibitors
Mol File:93-40-3.mol
(3,4-Dimethoxyphenyl)acetic acid Structure
(3,4-Dimethoxyphenyl)acetic acid Chemical Properties
Melting point 96-98 °C (lit.)
Boiling point 293.08°C (rough estimate)
density 1.2166 (rough estimate)
refractive index 1.5430 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form Powder
pkapK1:4.333 (25°C)
color White to beige
Water Solubility SOLUBLE
BRN 1110282
InChIKeyWUAXWQRULBZETB-UHFFFAOYSA-N
LogP1.242
CAS DataBase Reference93-40-3(CAS DataBase Reference)
NIST Chemistry ReferenceAcetic acid, 3,4-dimethoxyphenyl-(93-40-3)
EPA Substance Registry SystemBenzeneacetic acid, 3,4-dimethoxy- (93-40-3)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 36/37/38-22-36/37
Safety Statements 22-24/25-36/37-26-37/39
WGK Germany 3
RTECS AH0675000
TSCA Yes
HazardClass IRRITANT
HS Code 29189090
MSDS Information
ProviderLanguage
Homoveratric acid English
SigmaAldrich English
ACROS English
ALFA English
(3,4-Dimethoxyphenyl)acetic acid Usage And Synthesis
Chemical Propertieswhite to beige powder
UsesIt reacts with formaldehyde in the presence of acid to give an isochromanone.
UsesHomoveratric Acid is a dopamine metabolite that inhibits brain mitochondrial respiration via monoamine oxidase/H2O2-dependent or non-dependent pathway.
DefinitionChEBI: Homoveratric acid is a phenylacetic acid substituted at positions 3 and 4 by methoxy groups. It has a role as a human urinary metabolite and a human xenobiotic metabolite. It is a dimethoxybenzene and a member of phenylacetic acids.
Synthesis Reference(s)Organic Syntheses, Coll. Vol. 2, p. 333, 1943
The Journal of Organic Chemistry, 15, p. 548, 1950 DOI: 10.1021/jo01149a016
Purification MethodsCrystallise homoveratric acid from H2O or *C6H6/ligroin. The amide has m 142o (from H2O). [Beilstein 10 H 409, 10 I 197, 10 II 268, 10 III 1459, 10 IV 1509.]
(1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride 4,5-Dimethoxy-1-cyanobenzocyclobutane (Z)-3-(3-chloropropyl)-7,8-diethyl-1H-benzo[d] azepin-2 (3H)-one Ivabradine Impurity 70 2,3,4-TRIMETHOXYPHENYLACETIC ACID METHYL HOMOVERATRATE AKOS AU36-M255 2-BROMO-4,5-DIMETHOXYPHENYLACETIC ACID Ethyl 2-(Chlorosulfonyl)acetate 4-Ethoxy-3-methoxyphenylacetic acid Ascoric Acid ETHYL 3,4-DIMETHOXYPHENYLACETATE METHYL-2,3,4-TRIMETHOXYPHENYLACETATE 3,5-dimethoxyphenylacetic acid 6,7-DIMETHOXY-1,4-DIHYDRO-3H-ISOCHROMEN-3-ONE 1,1-Dimethoxyethane phosphoric acid 3,4,5-TRIMETHOXYPHENYL ACETIC ACID METHYL ESTER

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