3-(2,4,6-Trimethoxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(2,4,6-Trimethoxyphenyl)propanoic acid
• CAS No.: 74737-05-6
• Molecular Formula: C12H16 O5
• Molecular Weight: 240.256
• Hs Code.: 2918990090
• European Community (EC) Number: 277-978-2
• DSSTox Substance ID: DTXSID00996257
• Nikkaji Number: J349.454C
• Wikidata: Q82987962
• Mol file: 74737-05-6.mol

Synonyms:3-(2,4,6-trimethoxyphenyl)propanoic acid;74737-05-6;3-(2,4,6-Trimethoxyphenyl)propionic acid;EINECS 277-978-2;SCHEMBL491024;DTXSID00996257;2,4,6-Trimethoxyhydrocinnamic acid;STL302113;AKOS009374910;AS-64799;VU0549418-1;EN300-265726;F9995-0962

Chemical Property of 3-(2,4,6-Trimethoxyphenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 1.05E-06mmHg at 25°C
• Melting Point: 140-144℃
• Boiling Point: 387.7°C at 760 mmHg
• Flash Point: 146.4°C
• PSA: 64.99000
• Density: 1.169g/cm³
• LogP: 1.72960
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 240.09977361
• Heavy Atom Count: 17
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

3-(2,4,6-TRIMETHOXYPHENYL)PROPANOIC ACID 95.00% ^*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)CCC(=O)O)OC

Technology Process of 3-(2,4,6-Trimethoxyphenyl)propanoic acid

There total 5 articles about 3-(2,4,6-Trimethoxyphenyl)propanoic acid 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: 86.0%

1,2,3-trimethoxybenzene (621-23-8) + acrylic acid (79-10-7) → 3-(2,4,6-trimethoxy-phenyl)-propionic acid (74737-05-6)

Guidance literature:

With trifluorormethanesulfonic acid; In toluene; at 30 ℃; for 24h; Concentration; Temperature; Catalytic behavior;

DOI:10.1016/j.tetlet.2021.153100

Reference yield:

3-(2',4',6'-trimethoxyphenyl)propanal (1061567-31-4) → 3-(3-chloro-2,4,6-trimethoxyphenyl)-propionic acid (1061567-43-8) + 3-(2,4,6-trimethoxy-phenyl)-propionic acid (74737-05-6)

Guidance literature:

3-(2',4',6'-trimethoxyphenyl)propanal; With sodium chlorite; sodium dihydrogen phosphate monohydrate; 2-methyl-but-2-ene; In water; tert-butyl alcohol; at 0 - 20 ℃; Inert atmosphere;

With ammonium chloride; In water; tert-butyl alcohol; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol8018488

Reference yield:

1,2,3-trimethoxybenzene (621-23-8) + acryloyl chloride (814-68-6,25189-84-8) → 3-(2,4,6-trimethoxy-phenyl)-propionic acid (74737-05-6)

Guidance literature:

With sulfuric acid; In diethyl ether;

DOI:10.1016/S0040-4020(01)99503-1

upstream raw materials:

3-(2-hydroxy-4,6-dimethoxy-phenyl)-propionic acid

dimethyl sulfate

1,2,3-trimethoxybenzene

acryloyl chloride

Downstream raw materials:

1-(4-methoxy-phenyl)-3-(2,4,6-trimethoxy-phenyl)-propan-1-one

Refernces

• 1、 Maki, Brooks E.,Chan, Audrey,Phillips, Eric M.,Scheidt, Karl A.. "N-Heterocyclic carbene-catalyzed oxidations". experimental part. p. 3102 - 3109. Retrieved 2009/09/05.
• 2、 Li, Zigang,Shi, Zhangjie,He, Chuan. "Addition of heterocycles to electron deficient olefins and alkynes catalyzed by gold(III)". . p. 5049 - 5054. Retrieved 2007/10/03.