(3,4-Dimethoxyphenyl)acetic acid
Synonym(s):3,4-Dimethoxyphenylacetic acid;Homoveratric acid
- CAS NO.：93-40-3
- Empirical Formula: C10H12O4
- Molecular Weight: 196.2
- MDL number: MFCD00004335
- EINECS: 202-244-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:52
What is (3,4-Dimethoxyphenyl)acetic acid?
Chemical properties
white to beige powder
The Uses of (3,4-Dimethoxyphenyl)acetic acid
Homoveratric Acid is a dopamine metabolite that inhibits brain mitochondrial respiration via monoamine oxidase/H2O2-dependent or non-dependent pathway.
The Uses of (3,4-Dimethoxyphenyl)acetic acid
It reacts with formaldehyde in the presence of acid to give an isochromanone.
Definition
ChEBI: 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 Methods
Crystallise 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.]
Properties of (3,4-Dimethoxyphenyl)acetic acid
| 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) |
| pka | pK1:4.333 (25°C) |
| form | Powder |
| color | White to beige |
| Water Solubility | SOLUBLE |
| BRN | 1110282 |
| CAS DataBase Reference | 93-40-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Acetic acid, 3,4-dimethoxyphenyl-(93-40-3) |
| EPA Substance Registry System | Benzeneacetic acid, 3,4-dimethoxy- (93-40-3) |
Safety information for (3,4-Dimethoxyphenyl)acetic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for (3,4-Dimethoxyphenyl)acetic acid
| InChIKey | WUAXWQRULBZETB-UHFFFAOYSA-N |
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