Methyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoate

Base Information

• Chemical Name: Methyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoate
• CAS No.: 5014-22-2
• Molecular Formula: C20H22O7
• Molecular Weight: 374.38
• DSSTox Substance ID: DTXSID60564234
• Nikkaji Number: J83.268E
• Wikidata: Q82448862
• Mol file: 5014-22-2.mol

Synonyms:5014-22-2;Methyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoate;DTXSID60564234;4-(2-Hydroxy-4-methoxy-3,6-dimethylbenzoyloxy)-2-hydroxy-3,6-dimethylbenzoic acid methyl ester

Chemical Property of Methyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoate

Chemical Property:

• PSA: 102.29000
• LogP: 3.34580
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 374.13655304
• Heavy Atom Count: 27
• Complexity: 536

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2)C)C(=O)OC)O)C)O)C)OC

Technology Process of Methyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-dimethylbenzoate

There total 10 articles about Methyl 2-hydroxy-4-[(2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy]-3,6-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: 77.0%

2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester (4707-47-5) + 2-hydroxy-4-methoxy-3,6-dimethylbenzoic acid (479-26-5) → methyl barbatate (5014-22-2)

Guidance literature:

With trifluoroacetic anhydride; In toluene; at 20 ℃;

DOI:10.1016/S0223-5234(99)00132-4

Reference yield:

ethyl 2,4-dihydroxy-3,6-dimethylbenzoate (31581-32-5) → methyl barbatate (5014-22-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / NaOMe / 24 h / Heating

2: 77 percent / (CF₃-CO)2O / toluene / 20 °C

With sodium methylate; trifluoroacetic anhydride; In toluene; 1: transesterification / 2: Esterification;

DOI:10.1016/S0223-5234(99)00132-4

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + barbatic acid (17636-16-7) → methyl barbatate (5014-22-2)

Guidance literature:

With diethyl ether;

DOI:10.1007/BF03020944

upstream raw materials:

diazomethane

barbatic acid

2,4-dihydroxy-3,6-dimethyl-benzoic acid methyl ester

methyl baeomycesate