- isohomovanillic acid
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- $10.70 / 1kg
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2025-05-26
- CAS:1131-94-8
- Min. Order: 10kg
- Purity: 99.5%
- Supply Ability: 10000kg
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| | 3-Hydroxy-4-methoxyphenylacetic acid Basic information |
| | 3-Hydroxy-4-methoxyphenylacetic acid Chemical Properties |
| Melting point | 127-132 °C | | Boiling point | 371.3±27.0 °C(Predicted) | | density | 1.307±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | solubility | DMSO (Slightly), Methanol (Slightly) | | pka | 4.36±0.10(Predicted) | | form | Solid | | color | Pale Beige | | InChI | 1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12) | | InChIKey | BWXLCOBSWMQCGP-UHFFFAOYSA-N | | SMILES | COc1ccc(CC(O)=O)cc1O | | CAS DataBase Reference | 1131-94-8(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 22-36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29189900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-Hydroxy-4-methoxyphenylacetic acid Usage And Synthesis |
| Chemical Properties | Pale Beige Solid | | Uses | 3-Hydroxy-4-methoxyphenylacetic acid is a 4-O-methylated metabolite of catechol amines in man. 3-Hydroxy-4-methoxyphenylacetic acid is also a metabolite of 3,4-dihydroxyphenylalanine (DOPA) analogues as well as a metabolite of Hydroxytyrosol (H977000). | | Definition | ChEBI: A monocarboxylic acid that is the 4-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 49, p. 2061, 1984 DOI: 10.1021/jo00185a061 | | Synthesis | General procedure for the synthesis of 3-hydroxy-4-methoxyphenylacetic acid from 3-bromo-4-methoxyphenylacetic acid: sodium hydroxide (24.5 g, 612 mmol) and copper sulfate pentahydrate (1.02 g, 4.08 mmol) were added to a 125 mL sealed tube, followed by the addition of water (60 mL) to dissolve. The mixture was cooled and 3-bromo-4-methoxyphenylacetic acid (10 g, 40.8 mmol) was added. The reaction tube was sealed and placed in an oil bath at 150°C with stirring for 20 hours. After completion of the reaction, it was cooled to room temperature and the pH was adjusted slowly and dropwise to 3 by adding concentrated hydrochloric acid.The reaction mixture was filtered by pumping and the filter cake was washed with water. The collected solid was purified by column chromatography (eluent: dichloromethane/methanol, 30:1, v/v) to give an off-white solid product (3.3 g, 44.4% yield). | | IC 50 | Human Endogenous Metabolite | | References | [1] Journal of Organic Chemistry, 1984, vol. 49, # 11, p. 2061 - 2063
[2] Synthesis, 2011, # 2, p. 217 - 222
[3] Patent: WO2010/75469, 2010, A1. Location in patent: Page/Page column 115
[4] Patent: US2011/9628, 2011, A1. Location in patent: Page/Page column 37
[5] Patent: CN105481849, 2016, A. Location in patent: Paragraph 0461; 0465; 0466 |
| | 3-Hydroxy-4-methoxyphenylacetic acid Preparation Products And Raw materials |
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