4,5-Dimethoxy-2-methylbenzoic acid

Base Information

• Chemical Name: 4,5-Dimethoxy-2-methylbenzoic acid
• CAS No.: 20736-28-1
• Molecular Formula: C₁₀H₁₂O₄
• Molecular Weight: 196.203
• Hs Code.: 2918990090
• European Community (EC) Number: 853-888-4
• DSSTox Substance ID: DTXSID20372872
• Nikkaji Number: J3.432.282A
• Wikidata: Q82160816
• Mol file: 20736-28-1.mol

Synonyms:4,5-dimethoxy-2-methylbenzoic acid;20736-28-1;Benzoic acid, 4,5-dimethoxy-2-methyl-;MFCD00029889;4,5-Dimethoxy-2-methylbenzoicAcid;4,5-di-methoxy-o-toluic acid;SCHEMBL1505272;DTXSID20372872;2-Methyl-4,5-dimethoxybenzoic acid;AKOS004907099;CS-11358;SY017157;CS-0047080;FT-0738663;EN300-95893;A879461;Z442347916

Chemical Property of 4,5-Dimethoxy-2-methylbenzoic acid

Chemical Property:

• Melting Point: 145 °C
• Boiling Point: 320.4±37.0 °C(Predicted)
• PKA: 4.17±0.25(Predicted)
• PSA: 55.76000
• Density: 1.180±0.06 g/cm3(Predicted)
• LogP: 1.71040
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

4,5-Dimethoxy-2-methylbenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C(=O)O)OC)OC

Technology Process of 4,5-Dimethoxy-2-methylbenzoic acid

There total 23 articles about 4,5-Dimethoxy-2-methylbenzoic 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: 99.0%

2-methyl-4,5-dimethoxybenzaldehyde (24186-66-1) → 4,5-dimethoxy-2-methylbenzoic acid (20736-28-1,131035-49-9)

Guidance literature:

2-methyl-4,5-dimethoxybenzaldehyde; With sodium hydroxide; bromine; In 1,4-dioxane; water; at 0 - 20 ℃;

With sodium hydrogensulfite; In 1,4-dioxane; water; at 20 ℃; for 18h;

DOI:10.1021/ol801291k

Reference yield: 95.0%

4,5-dimethoxy-2-methylbenzaldehyde (7721-62-2) → 4,5-dimethoxy-2-methylbenzoic acid (20736-28-1,131035-49-9)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; In water; dimethyl sulfoxide; at 20 ℃;

DOI:10.1248/cpb.56.1026

Reference yield: 85.0%

trimethylaluminum (75-24-1) + Veratric acid (93-07-2) → 4,5-dimethoxy-2-methylbenzoic acid (20736-28-1,131035-49-9)

Guidance literature:

trimethylaluminum; Veratric acid; With iron(III)-acetylacetonate; 4-(bis(2-(diphenylphosphanyl)phenyl)phosphanyl)-N,N-dimethylaniline; In tetrahydrofuran; 1,2-dimethoxyethane; toluene; at 20 ℃; Inert atmosphere; Schlenk technique;

With 2,3-dichlorobutane; In tetrahydrofuran; 1,2-dimethoxyethane; toluene; at 70 ℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/jacs.6b06908

upstream raw materials:

4,5-dimethoxy-2-methylbenzaldehyde

4,5-dimethoxy-2-methyl-benzonitrile

2-methyl-4,5-dimethoxybenzaldehyde

2-(2-bromo-4,5-dimethoxyphenyl)-1,3-dioxolane

Downstream raw materials:

m-hemipinic acid

4,5-Dimethoxy-2-methyl-benzoesaeure-aethylester

2-methoxy-5-methyl-1,4-benzoquinone

4,5-dihydroxy-2-methylbenzoic acid