2,4,6-Trimethoxybenzoic acid

Base Information

• Chemical Name: 2,4,6-Trimethoxybenzoic acid
• CAS No.: 570-02-5
• Molecular Formula: C10H12O5
• Molecular Weight: 212.202
• Hs Code.: 2918990090
• European Community (EC) Number: 209-325-4
• DSSTox Substance ID: DTXSID1060348
• Nikkaji Number: J188.435B
• Wikidata: Q72513706
• Mol file: 570-02-5.mol

Synonyms:2,4,6-Trimethoxybenzoic acid;570-02-5;Benzoic acid, 2,4,6-trimethoxy-;EINECS 209-325-4;MFCD00016497;SCHEMBL466144;DTXSID1060348;AKOS009148700;CS-W021498;AS-32992;SY017902;FT-0609887;T2408;EN300-195697;W-105493;PHLOROGLUCINOL CARBOXYLIC ACID TRIMETHYL ETHER

Chemical Property of 2,4,6-Trimethoxybenzoic acid

Chemical Property:

• Vapor Pressure: 1.62E-05mmHg at 25°C
• Melting Point: 158 °C (dec.)
• Refractive Index: 1.523
• Boiling Point: 350.6 °C at 760 mmHg
• PKA: 4.25±0.10(Predicted)
• Flash Point: 137.4 °C
• PSA: 64.99000
• Density: 1.219 g/cm³
• LogP: 1.41060
• Solubility.: soluble in Methanol
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.06847348
• Heavy Atom Count: 15
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Trimethoxybenzoic Acid 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)C(=O)O)OC
• Uses: 2,4,6-Trimethoxybenzoic Acid is a useful research chemical for organic synthesis and other chemical processes.

Technology Process of 2,4,6-Trimethoxybenzoic acid

There total 16 articles about 2,4,6-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: 97.0%

2,4,6-trimethoxybenzaldehyde (830-79-5) → 2,4,6-trimethoxybenzoic acid (570-02-5)

Guidance literature:

With Co₄HP₂Mo₁₅V₃O₆₂; N-(4-sulfonic acid)butyl triethylammonium tetrafluoroborate; dihydrogen peroxide; In water; at 20 ℃; for 3h; Green chemistry;

DOI:10.1039/c5ra02234g

Reference yield: 91.0%

2,4,6-trimethoxybenzyl alcohol (61040-78-6) → 2,4,6-trimethoxybenzoic acid (570-02-5)

Guidance literature:

With tert.-butylhydroperoxide; copper(ll) bromide; In water; dimethyl sulfoxide; at 20 ℃; for 8.5h; Inert atmosphere;

DOI:10.1002/aoc.1783

Reference yield:

1,2,3-trimethoxybenzene (621-23-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,4,6-trimethoxybenzoic acid (570-02-5)

Guidance literature:

1,2,3-trimethoxybenzene; N,N-dimethyl-formamide; With trichlorophosphate; In dichloromethane; at 40 ℃; for 3h;

With water; dihydrogen peroxide; potassium carbonate; In dichloromethane; at 65 ℃; for 3h;

DOI:10.1007/s00044-021-02828-0

upstream raw materials:

2,4,6-trimethoxybenzaldehyde

methyl 2,4,6-trimethoxybenzoate

methyl 2,4,6-trimethoxyphenylglyoxylate

methyl 4,6-dimethoxysalicylate

Downstream raw materials:

2,4,6-trimethoxyphenylmercuric acetate

1,2,3-trimethoxybenzene

C₁₆H₂₂O₅

C₁₆H₂₄O₅

Refernces

• 1、 Zhang, Fuli,Lai, Qingfu,Lai, Weihong,Li, Ming,Jin, Xiaobao,Ye, Lianbao. "Phloroglucinol derivatives as anti-tumor agents: synthesis, biological activity evaluation and molecular docking studies". . p. 165 - 176. Retrieved 2021/12/02.
• 2、 Matic, Mirela,Denegri, Bernard,Kronja, Olga. "Method for estimating SN1 rate constants: Solvolytic reactivity of benzoates". supporting information. p. 8986 - 8998,13. Retrieved 2012/12/12.