Benzoic acid, 2,3,4-trimethoxy-6-methyl-, ethyl ester

Base Information

• Chemical Name: Benzoic acid, 2,3,4-trimethoxy-6-methyl-, ethyl ester
• CAS No.: 79004-04-9
• Molecular Formula: C13H18O5
• Molecular Weight: 254.283
• DSSTox Substance ID: DTXSID20446163
• Wikidata: Q82264751

Synonyms:79004-04-9;Benzoic acid, 2,3,4-trimethoxy-6-methyl-, ethyl ester;DTXSID20446163

Chemical Property of Benzoic acid, 2,3,4-trimethoxy-6-methyl-, ethyl ester

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 254.11542367
• Heavy Atom Count: 18
• Complexity: 268

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=C(C=C1C)OC)OC)OC

Technology Process of Benzoic acid, 2,3,4-trimethoxy-6-methyl-, ethyl ester

There total 2 articles about Benzoic acid, 2,3,4-trimethoxy-6-methyl-, ethyl ester 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: 68.0%

ethyl 2,3-dihydroxy-4-methoxy-6-methylbenzoate (79004-05-0) + dimethyl sulfate (77-78-1) → ethyl 2,3,4-trimethoxy-6-methylbenzoate (79004-04-9)

Guidance literature:

With potassium carbonate; In acetone; for 22h; Heating;

Reference yield:

ethyl everninate (6110-36-7) → ethyl 2,3,4-trimethoxy-6-methylbenzoate (79004-04-9)

Guidance literature:

Multistep reaction;

DOI:10.1016/S0040-4039(00)60826-2

Reference yield: 75.0%

ethyl 2,3,4-trimethoxy-6-methylbenzoate (79004-04-9) + dimethyl sulfate (77-78-1) → 2,3,4-trimethoxy-6-methylbenzoic acid (79004-02-7)

Guidance literature:

With potassium hydroxide; In water; at 90 ℃; for 3h;

upstream raw materials:

ethyl everninate

ethyl 2,3-dihydroxy-4-methoxy-6-methylbenzoate

dimethyl sulfate

Downstream raw materials:

2,3,4-trimethoxy-6-methylbenzoic acid

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