Methyl 4-methoxy-2,6-dimethylbenzoate

Base Information

• Chemical Name: Methyl 4-methoxy-2,6-dimethylbenzoate
• CAS No.: 37934-88-6
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40372874
• Nikkaji Number: J356.908J
• Wikidata: Q82160820
• Mol file: 37934-88-6.mol

Synonyms:methyl 4-methoxy-2,6-dimethylbenzoate;37934-88-6;methyl 2,6-dimethyl-4-methoxybenzoate;SCHEMBL11067587;DTXSID40372874;MFCD01194300;AKOS004906998;CS-0195994;E89553;4-Methoxy-2,6-dimethylbenzoic acid methyl ester;4-Methoxy-2,6-dimethyl-benzoic acid methyl ester

Chemical Property of Methyl 4-methoxy-2,6-dimethylbenzoate

Chemical Property:

• Boiling Point: 279.8±35.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.056±0.06 g/cm3(Predicted)
• LogP: 2.09860
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-Methoxy-2,6-dimethylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-methoxy-2,6-dimethylbenzoate

There total 5 articles about Methyl 4-methoxy-2,6-dimethylbenzoate 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: 88.0%

2-bromo-5-methoxy-1,3-dimethyl-benzene (6267-34-1) + methyl chloroformate (79-22-1) → methyl 2,6-dimethyl-4-methoxybenzoate (37934-88-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2010.08.035

Reference yield: 24.0%

methyl 8,8-dimethoxy-1,5-dimethyl-3-oxo-2-oxabicyclo<2.2.2>oct-5-ene-6-carboxylate (107941-44-6) → methyl 2,6-dimethyl-4-methoxybenzoate (37934-88-6) + methyl 4-hydroxy-2,6-dimethylbenzoate (83194-70-1)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; water; at 75 ℃; for 24h;

Reference yield:

maleic anhydride (108-31-6) + (4-Methoxy-2-methyl-6-methylene-cyclohexa-2,4-dienylidene)-methanone (91416-38-5) → methyl 2,6-dimethyl-4-methoxybenzoate (37934-88-6) + 3-Methoxy-5-methyl-bicyclo[4.2.0]octa-1,3,5-trien-7-one + 7-Methoxy-5-methyl-9,9a-dihydro-3aH-naphtho[2,3-c]furan-1,3,4-trione

Guidance literature:

In diethyl ether; at 23 ℃; Title compound not separated from byproducts; Irradiation;

DOI:10.1016/S0040-4039(01)80210-0

upstream raw materials:

maleic anhydride

(4-Methoxy-2-methyl-6-methylene-cyclohexa-2,4-dienylidene)-methanone

methanol

methyl 8,8-dimethoxy-1,5-dimethyl-3-oxo-2-oxabicyclo<2.2.2>oct-5-ene-6-carboxylate

Downstream raw materials:

C₁₂H₁₄O₄

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