Methyl 3,4-dihydroxy-5-methoxybenzoate

Base Information

• Chemical Name: Methyl 3,4-dihydroxy-5-methoxybenzoate
• CAS No.: 3934-86-9
• Molecular Formula: C9H10O5
• Molecular Weight: 198.175
• Hs Code.: 2918990090
• European Community (EC) Number: 672-149-5
• NSC Number: 251664
• UNII: 8FIX3OQ9G8
• DSSTox Substance ID: DTXSID70192562
• Nikkaji Number: J770.249C
• Wikidata: Q83065234
• Metabolomics Workbench ID: 125597
• ChEMBL ID: CHEMBL1933687
• Mol file: 3934-86-9.mol

Synonyms:M3OMG;methyl-3-O-methylgallate;methyl-O-methylgallate

Chemical Property of Methyl 3,4-dihydroxy-5-methoxybenzoate

Chemical Property:

• Vapor Pressure: 1.07E-06mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 391.7 °C at 760 mmHg
• Flash Point: 160.5 °C
• PSA: 75.99000
• Density: 1.337 g/cm³
• LogP: 0.89300
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 198.05282342
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Methyl3,4-Dihydroxy-5-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)O)C(=O)OC

Technology Process of Methyl 3,4-dihydroxy-5-methoxybenzoate

There total 21 articles about Methyl 3,4-dihydroxy-5-methoxybenzoate 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: 96.0%

2-ethoxy-7-methoxy-benzo[1,3]dioxole-5-carboxylic acid methyl ester → methyl 3,4-dihydroxy-5-methoxybenzoate (3934-86-9)

Guidance literature:

With hydrogenchloride; In water; at 22 ℃; for 6h; Temperature;

Reference yield: 96.0%

C11H12O6 → methyl 3,4-dihydroxy-5-methoxybenzoate (3934-86-9)

Guidance literature:

With hydrogenchloride; In water; at 25 ℃; for 8h;

Reference yield: 92.0%

7-hydroxy-2-oxo-benzo[1,3]dioxole-5-carboxylic acid (408340-58-9) + dimethyl sulfate (77-78-1) → methyl 3,4-dihydroxy-5-methoxybenzoate (3934-86-9)

Guidance literature:

With potassium carbonate; In acetone; at 22 ℃; for 4.5h; Temperature;

upstream raw materials:

methanol

3,4-dihydroxy-5-methoxybenzoic acid

methyl 3-methoxy-4,5-diphenylmethylenedioxybenzoate

methyl galloate

Downstream raw materials:

3,4-diacetoxy-5-methoxy-benzoic acid methyl ester

4,4'-di-O-methylellagic acid

3,4-bis-(3,5-dinitro-benzoyloxy)-5-methoxy-benzoic acid methyl ester

4-[2-(3,4-Dimethoxy-phenyl)-1-methyl-2-oxo-ethoxy]-3-hydroxy-5-methoxy-benzoic acid methyl ester

Refernces

• 1、 Ando, Daisuke,Boerjan, Wout,Elder, Thomas J.,Eugene, Alexis,Kim, Hoon,Lu, Fachuang,Ralph, John,Tobimatsu, Yuki,Vanholme, Ruben. "Incorporation of catechyl monomers into lignins: Lignification from the non-phenolic end: Via Diels-Alder cycloaddition?". . p. 8995 - 9013. Retrieved 2021/11/27.
• 2、 -. "Synthetic method of bifendate intermediate". . . Retrieved 2020/04/22.