Methyl 4,5-dimethoxy-3-hydroxybenzoate

Base Information

• Chemical Name: Methyl 4,5-dimethoxy-3-hydroxybenzoate
• CAS No.: 83011-43-2
• Molecular Formula: C10H12O5
• Molecular Weight: 212.202
• Hs Code.: 29189990
• European Community (EC) Number: 617-426-3
• DSSTox Substance ID: DTXSID80370056
• Nikkaji Number: J1.736.828A
• Wikidata: Q72490208
• Mol file: 83011-43-2.mol

Synonyms:3-Hydroxy-4,5-dimethoxybenzoicacid methyl ester;Methyl 3,4-dimethoxy-5-hydroxybenzoate;Methyl 3-hydroxy-4,5-dimethoxybenzoate;

Chemical Property of Methyl 4,5-dimethoxy-3-hydroxybenzoate

Chemical Property:

• Appearance/Colour: white to light beige crystals or cryst. powder
• Vapor Pressure: 6.85E-06mmHg at 25°C
• Melting Point: 80-84 °C
• Refractive Index: 1.525
• Boiling Point: 366.6 °C at 760 mmHg
• PKA: 8.78±0.15(Predicted)
• Flash Point: 144.8 °C
• PSA: 64.99000
• Density: 1.221 g/cm₃
• LogP: 1.19600
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.06847348
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-hydroxy-4,5-dimethoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)O)C(=O)OC

Technology Process of Methyl 4,5-dimethoxy-3-hydroxybenzoate

There total 21 articles about Methyl 4,5-dimethoxy-3-hydroxybenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

methyl 3-benzyloxy-4,5-dimethoxybenzoate (26409-24-5) → 3-hydroxy-4,5-dimethoxybenzoate (83011-43-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 20h;

DOI:10.1016/0040-4020(95)00702-A

Reference yield: 97.0%

methanol (67-56-1) + 3-hydroxy-4,5-dimethoxybenzoic acid (1916-08-1) → 3-hydroxy-4,5-dimethoxybenzoate (83011-43-2)

Guidance literature:

With sulfuric acid; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2011.08.047

Reference yield: 80.0%

methyl galloate (99-24-1) + methyl iodide (74-88-4) → 3-hydroxy-4,5-dimethoxybenzoate (83011-43-2)

Guidance literature:

methyl galloate; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1007/s12272-011-0708-9

upstream raw materials:

methanol

3-hydroxy-4,5-dimethoxybenzoic acid

diazomethane

3,4,5-trihydroxybenzoic acid

Downstream raw materials:

methyl penta-O-methyl-m-digallate

dimethyl penta-O-methyl-m-dehydrodigallate

methyl 3-benzyloxy-4,5-dimethoxybenzoate

methyl 3,4-dimethoxy-5-<(2-methoxyethoxy)methoxy>benzoate