3,4,5-trimethoxyphenyl acetate

Base Information

• Chemical Name: 3,4,5-trimethoxyphenyl acetate
• CAS No.: 17742-46-0
• Molecular Formula: C11H14O5
• Molecular Weight: 226.229
• NSC Number: 123859
• DSSTox Substance ID: DTXSID20298523
• Nikkaji Number: J818.551D
• Wikidata: Q82040375
• Metabolomics Workbench ID: 45059
• Mol file: 17742-46-0.mol

Synonyms:3,4,5-trimethoxyphenyl acetate;17742-46-0;(3,4,5-trimethoxyphenyl) acetate;NSC 123859;NSC123859;SCHEMBL736176;DTXSID20298523;CHEBI:172465;NSC-123859;Acetic acid 3,4,5-trimethoxyphenyl ester;AC-776/41252552

Chemical Property of 3,4,5-trimethoxyphenyl acetate

Chemical Property:

• Vapor Pressure: 0.000345mmHg at 25°C
• Boiling Point: 319.2°C at 760 mmHg
• Flash Point: 139.1°C
• Density: 1.136g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 226.08412354
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=C(C(=C1)OC)OC)OC

Technology Process of 3,4,5-trimethoxyphenyl acetate

There total 11 articles about 3,4,5-trimethoxyphenyl acetate 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: 99.0%

3,4,5-trimethoxyphenol (642-71-7) + acetic anhydride (108-24-7) → acetic acid 3,4,5-trimethoxy-phenyl ester (17742-46-0)

Guidance literature:

3,4,5-trimethoxyphenol; With triethylamine; In dichloromethane; at 20 ℃; for 0.25h;

acetic anhydride; In dichloromethane; at 20 ℃; for 6h;

Reference yield: 98.0%

3,4,5-trimethoxyphenol (642-71-7) + sodium acetate (127-09-3) → acetic acid 3,4,5-trimethoxy-phenyl ester (17742-46-0)

Guidance literature:

In acetic anhydride; at 110 ℃; for 2h; Inert atmosphere;

DOI:10.3390/molecules22061006

Reference yield: 43.0%

trimethylsilyl acetate (2754-27-0) + 1,2,3-trimethoxybenzene (634-36-6) → acetic acid 3,4,5-trimethoxy-phenyl ester (17742-46-0)

Guidance literature:

With bis-[(trifluoroacetoxy)iodo]benzene; In various solvent(s); for 0.25h; Ambient temperature;

DOI:10.1021/ja00088a003

upstream raw materials:

3,4,5-trimethoxyphenol

acetic anhydride

trimethylsilyl acetate

1,2,3-trimethoxybenzene

Downstream raw materials:

2-(4-bromophenyl)-5,6,7-trimethoxy-4H-chromen-4-one

C₁₈H₁₇BrO₅

Eudesmic acid

6-hydroxy-2,3,4-trimethoxyacetophenone

Refernces

• 1、 -. "Baicalein or derivative thereof, preparation method and application of baicalein or derivative of baicalein". Paragraph 0088; 0163-0164. . Retrieved 2020/04/17.
• 2、 -. "Synthetic method for portulacanone compounds and their derivatives and anti-inflammatory pharmaceutical compounds containing thereof". Paragraph 0100; 0101. . Retrieved 2019/09/05.