Methyl 2,3,4,5,6-pentamethylbenzoate

Base Information

• Chemical Name: Methyl 2,3,4,5,6-pentamethylbenzoate
• CAS No.: 28195-45-1
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.285
• European Community (EC) Number: 654-508-8
• Nikkaji Number: J937.613E

Synonyms:Methyl 2,3,4,5,6-pentamethylbenzoate;Methyl pentamethylbenzoate;SCHEMBL10165970;AKOS017259565;28195-45-1

Chemical Property of Methyl 2,3,4,5,6-pentamethylbenzoate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 2,3,4,5,6-pentamethylbenzoate

There total 10 articles about Methyl 2,3,4,5,6-pentamethylbenzoate 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:

3-methyl-1-pentamethylphenyl-but-2-en-1-one (856182-13-3) → pentamethyl-benzoic acid methyl ester (28195-45-1)

Guidance literature:

Multi-step reaction with 2 steps

1: KMnO₄

With potassium permanganate;

DOI:10.1021/ja01152a084

Reference yield:

methanol (67-56-1) + pentamethylbenzoic acid (2243-32-5) → pentamethyl-benzoic acid methyl ester (28195-45-1)

Guidance literature:

With hydrogenchloride;

Reference yield:

2,3,4,5-Tetramethyl-bicyclo[4,2,0]octa-1,3,5-trien-7-on (6590-36-9) + sodium methylate (124-41-4) → pentamethyl-benzoic acid methyl ester (28195-45-1)

Guidance literature:

In methanol; at 65 ℃; for 20h; Yield given;

DOI:10.1002/hlca.19980810207

upstream raw materials:

diazomethane

pentamethylbenzoic acid

methanol

maleic anhydride

Downstream raw materials:

2,3,4,5-Tetramethyl-6-nitrooxymethyl-benzoic acid methyl ester

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