2,3,4-Trimethoxybenzoic acid

Base Information

• Chemical Name: 2,3,4-Trimethoxybenzoic acid
• CAS No.: 573-11-5
• Molecular Formula: C10H12O5
• Molecular Weight: 212.202
• Hs Code.: 29189900
• European Community (EC) Number: 209-350-0
• DSSTox Substance ID: DTXSID00205912
• Nikkaji Number: J1.623C
• Wikidata: Q63408785
• Mol file: 573-11-5.mol

Synonyms:2,3,4-TRIMETHOXYBENZOIC ACID;573-11-5;2,3,4-Trimethoxy-benzoic acid;Benzoic acid, 2,3,4-trimethoxy-;MFCD00002433;EINECS 209-350-0;trimethoxybenzoic acid;AP-065/41884107;SCHEMBL102827;DTXSID00205912;BCP34374;BBL027380;CK2163;STL257458;AKOS000119569;CS-W014274;GS-3092;2,3,4-Trimethoxybenzoic acid, >=98%;AC-11256;SY020854;AM20060674;FT-0601238;T1116;EN300-20493;Benzoic acid, trimethoxy-;Trimetazidine Impurity 4;W-105474;Q63408785;F2191-0077;Z104478406

Chemical Property of 2,3,4-Trimethoxybenzoic acid

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 0.000127mmHg at 25°C
• Melting Point: 99-102 °C(lit.)
• Refractive Index: 1.5140 (estimate)
• Boiling Point: 321 °C at 760 mmHg
• PKA: 4.24±0.10(Predicted)
• Flash Point: 123.5 °C
• PSA: 64.99000
• Density: 1.219 g/cm³
• LogP: 1.41060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• 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

2,3,4-Trimethoxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)C(=O)O)OC)OC
• Uses: 2,3,4-Trimethoxybenzoic acid was used in the synthesis of tropoloisoquinoline alkaloid pareitropone. It was also used in the synthesis of isomeric tris(pyrogallol) derivatives and naphthoic acid.

Technology Process of 2,3,4-Trimethoxybenzoic acid

There total 20 articles about 2,3,4-Trimethoxybenzoic 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: 95.0%

2,3,4-trimethoxybenzaldehyde (2103-57-3) → 2,3,4-Trimethoxy-benzoic acid (573-11-5)

Guidance literature:

With dihydrogen peroxide; potassium hydroxide; In methanol; water; for 8.5h; Reflux;

DOI:10.1016/j.bmc.2014.03.024

Reference yield: 93.0%

C12H16O6 (1178514-38-9) → 2,3,4-Trimethoxy-benzoic acid (573-11-5)

Guidance literature:

With niobium pentachloride; In acetonitrile; at 0 - 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2009.03.171

Reference yield: 9.0%

malonic acid (141-82-2) + 1,2,3-trimethoxybenzene (634-36-6) → 2,3,4-Trimethoxy-benzoic acid (573-11-5) + 2,3,4-trimethoxybenzaldehyde (2103-57-3)

Guidance literature:

With manganese triacetate; In acetic acid; for 0.0166667h; Yields of byproduct given; Heating;

DOI:10.1246/bcsj.62.545

upstream raw materials:

1,2,3-trimethoxybenzene

2',3',4'-trimethoxyacetophenone

methyl 2,3,4-trimethoxybenzoate

2',3',4'-trimethoxychalcone

Downstream raw materials:

4,4-dimethyl-2-(2,3,4-trimethoxyphenyl)-4,5-oxazoline

2,3,4-trimethoxy-5-(3-phenylpropylsulfamoyl)benzoic acid

2,3,4-trimethoxyaniline

methyl 2,3,4-trimethoxybenzoate

Refernces

• 1、 Yadav,Ganganna,Bhunia, Dinesh C.,Srihari. "NbCl5 mediated deprotection of methoxy methyl ether". experimental part. p. 4318 - 4320. Retrieved 2009/10/26.
• 2、 Cong, Zhi-Qi,Wang, Chun-Ian,Chen, Tie,Yin, Bing-Zhu. "Efficient and rapid method for the oxidation of electron-rich aromatic aldehydes to carboxylic acids using improved basic hydrogen peroxide". . p. 679 - 683. Retrieved 2007/10/03.