3,4-Dimethoxy-2-methylbenzoic acid

Base Information

• Chemical Name: 3,4-Dimethoxy-2-methylbenzoic acid
• CAS No.: 5722-94-1
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• Hs Code.: 2918990090
• European Community (EC) Number: 894-734-6
• DSSTox Substance ID: DTXSID80472665
• Nikkaji Number: J2.644.755K
• Wikidata: Q82301700
• Mol file: 5722-94-1.mol

Synonyms:3,4-dimethoxy-2-methylbenzoic acid;5722-94-1;Benzoic acid, 3,4-dimethoxy-2-methyl-;MFCD09701444;3,4-dimethoxy-2-methyl-benzoic Acid;SCHEMBL2425023;DTXSID80472665;methyl-3,4-dimethoxybenzoic acid;OUEJXYZKZCQELU-UHFFFAOYSA-N;BCP21739;CS-M3413;AKOS006330352;AS-31888;SY017156;3 pound not4-Dimethoxy-2-methylbenzoic Acid;AM20040741;FT-0696597;EN300-211536;Z1198221140

Chemical Property of 3,4-Dimethoxy-2-methylbenzoic acid

Chemical Property:

• Melting Point: 147 °C
• Boiling Point: 312.5±37.0 °C(Predicted)
• PKA: 4.20±0.25(Predicted)
• PSA: 55.76000
• Density: 1.180±0.06 g/cm3(Predicted)
• LogP: 1.71040
• Storage Temp.: 2-8°C
• 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:

98%Min ^*data from raw suppliers

3,4-Dimethoxy-2-methylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1OC)OC)C(=O)O
• Uses: 3,4-Dimethoxy-2-methylbenzoic Acid is a useful synthetic intermediate. It is used to synthesize 5,5''-didesisopropyl-5,5''-dialkylapogossypol derivatives.

Technology Process of 3,4-Dimethoxy-2-methylbenzoic acid

There total 24 articles about 3,4-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: 86.2%

carbon dioxide (124-38-9,18923-20-1) + 3,4-dimethoxy-2-methyl-1-bromobenzene (74866-17-4) → 2-methyl-3,4-dimethoxybenzoic acid (5722-94-1)

Guidance literature:

3,4-dimethoxy-2-methyl-1-bromobenzene; With methylmagnesium chloride; magnesium; In tetrahydrofuran; at 25 ℃; Inert atmosphere; Large scale;

carbon dioxide; In tetrahydrofuran; water; at -60 ℃; Inert atmosphere; Large scale;

With sulfuric acid; In tetrahydrofuran; water; at 25 - 30 ℃; for 1h; Inert atmosphere; Large scale;

DOI:10.1021/op049938t

Reference yield: 81.5%

2-methyl-3,4-dimethoxyacetophenone (5417-20-9) → 2-methyl-3,4-dimethoxybenzoic acid (5722-94-1)

Guidance literature:

With sodium hypochlorite; at 60 - 70 ℃; for 0.666667h;

DOI:10.1021/jm00345a013

Reference yield: 40.0%

Veratric acid (93-07-2) + methyl iodide (74-88-4) → 2-methyl-3,4-dimethoxybenzoic acid (5722-94-1) + 3,4-dimethoxy-2-ethylbenzoic acid (99425-68-0)

Guidance literature:

Veratric acid; With n-butyllithium; 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; hexane; at -78 - 0 ℃;

methyl iodide; In tetrahydrofuran; hexane; at 0 - 40 ℃; for 3h; Further stages.;

DOI:10.1016/j.tet.2008.08.086

upstream raw materials:

2-methyl-3,4-dimethoxyacetophenone

2-methyl-3,4-dimethoxybenzaldehyde

acetone

acetic acid

Downstream raw materials:

1,4-dioxan-2-yl 3,4-dimethoxy-2-methylbenzoate

C₃₂H₃₈N₂O₅

C₂₅H₂₆O₆

C₂₄H₂₄O₆

Refernces

• 1、 -. "NOVEL HETEROTRICYCLIC DERIVATIVE COMPOUND AND USE OF SAME". Paragraph 0062-0063. . Retrieved 2022/01/03.
• 2、 -. "DERIVES DU GOSSYPOL ET DE L'APOGOSSYPOL, LEURS PREPARATIONS ET LEURS APPLICTIONS". Page/Page column 14. . Retrieved 2011/01/05.