2,4,6-Trimethoxyphenol

Base Information

• Chemical Name: 2,4,6-Trimethoxyphenol
• CAS No.: 20491-92-3
• Molecular Formula: C9H12O4
• Molecular Weight: 184.192
• Hs Code.: 2909500000
• European Community (EC) Number: 243-851-5
• UNII: 4MJL0GD54W
• DSSTox Substance ID: DTXSID70174469
• Nikkaji Number: J141.508E
• Wikidata: Q72513814
• ChEMBL ID: CHEMBL225314
• Mol file: 20491-92-3.mol

Synonyms:2,4,6-Trimethoxyphenol;20491-92-3;EINECS 243-851-5;Phenol, 2,4,6-trimethoxy-;4MJL0GD54W;UNII-4MJL0GD54W;CHEMBL225314;SCHEMBL1047550;DTXSID70174469;MFCD00017159;2,4,6-Trimethoxyphenol, AldrichCPR;AKOS006283780;DS-18289;CS-0186495;FT-0638006;C73882;EN300-1847749;A814604;W-107618

Chemical Property of 2,4,6-Trimethoxyphenol

Chemical Property:

• Vapor Pressure: 0.000382mmHg at 25°C
• Melting Point: 60-64 °C
• Refractive Index: 1.514
• Boiling Point: 308.108 °C at 760 mmHg
• PKA: 10.48±0.23(Predicted)
• Flash Point: 140.139 °C
• PSA: 47.92000
• Density: 1.152 g/cm³
• LogP: 1.41800
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.07355886
• Heavy Atom Count: 13
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Trimethoxyphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)O)OC
• Uses: 2,4,6-Trimethoxyphenol is a natural product identified in the methanol extracts from the trunk bark of Ceiba pentandra. Shows antioxidant activity.

Technology Process of 2,4,6-Trimethoxyphenol

There total 22 articles about 2,4,6-Trimethoxyphenol 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: 95.0%

1,3-O-methylidene-2,4,6-tri-O-methyl-myo-5-inosose → 2,4,6-trimethoxyphenol (20491-92-3)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.0833333h;

DOI:10.1016/j.carres.2018.03.007

Reference yield: 92.0%

2,4,6-trimethoxybenzaldehyde (830-79-5) → 2,4,6-trimethoxyphenol (20491-92-3)

Guidance literature:

With dihydrogen peroxide; toluene-4-sulfonic acid; In methanol; for 4h; Ambient temperature;

Reference yield: 91.0%

sodium methylate (124-41-4) + 2,4,6-tribromophenol (118-79-6) → 2,4,6-trimethoxyphenol (20491-92-3)

Guidance literature:

With copper(l) chloride; In methanol; N,N-dimethyl-formamide; at 100 - 110 ℃; Temperature;

upstream raw materials:

1,2,3,5-tetramethoxybenzene

2,4,6-trimethoxybenzaldehyde

1-(O-2,4,6-trimethoxyphenyl)-β-D-glucopyranoside

2,4,6-Trimethoxy-formyloxybenzol

Downstream raw materials:

chloro-acetic acid-(2,4,6-trimethoxy-phenyl ester)

6-hydroxy-5,7-dimethoxyflavone

5-hydroxy-2,4,6-trimethoxyacetophenone

5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

Refernces

• 1、 -. "Method for preparing baicalein". . . Retrieved 2016/10/09.
• 2、 Tori, Motoo,Sono, Masakazu,Takikawa, Keiko,Matsuda, Reiko,Toyota, Masao,Cheminat, Annie,Asakawa, Yoshinori. "Oxidation Reactions of Marchantin A Trimethyl Ether and Some Aromatic Compounds Using m-Chloroperbenzoic Acid. Formation of Muconic Acid Ester and m-Chlorobenzoate". . p. 2001 - 2019. Retrieved 2007/10/03.