Methyl 4,4'-dimethoxybenzilate

Base Information

• Chemical Name: Methyl 4,4'-dimethoxybenzilate
• CAS No.: 43077-90-3
• Molecular Formula: C₁₇H₁₈O₅
• Molecular Weight: 302.327
• DSSTox Substance ID: DTXSID001186302
• Wikidata: Q107838128
• Mol file: 43077-90-3.mol

Synonyms:43077-90-3;methyl 4,4'-dimethoxybenzilate;SCHEMBL3180051;NMWZSLUIXUSVSH-UHFFFAOYSA-N;DTXSID001186302;methyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate;Methyl alpha-hydroxy-4-methoxy-alpha-(4-methoxyphenyl)benzeneacetate

Chemical Property of Methyl 4,4'-dimethoxybenzilate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 302.11542367
• Heavy Atom Count: 22
• Complexity: 330

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(=O)OC)O

Technology Process of Methyl 4,4'-dimethoxybenzilate

There total 3 articles about Methyl 4,4'-dimethoxybenzilate 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: 91.0%

4,4'-dimethoxybenzilic acid (639-61-2) + methyl iodide (74-88-4) → (α-methoxycarbonyl)bis(p-methoxyphenyl)methanol (43077-90-3)

Guidance literature:

4,4'-dimethoxybenzilic acid; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile;

methyl iodide; In acetonitrile; at 0 - 20 ℃; for 48h; Cooling with ice;

DOI:10.1002/cmdc.201900719

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 4,4'-dimethoxybenzilic acid (639-61-2) → (α-methoxycarbonyl)bis(p-methoxyphenyl)methanol (43077-90-3)

Guidance literature:

With diethyl ether;

DOI:10.1557/mrs2001.65

Reference yield:

→ (α-methoxycarbonyl)bis(p-methoxyphenyl)methanol (43077-90-3)

Guidance literature:

aus 4,4'-Dimethoxy-benzil 1. KOH, Butanol-(1) <10 min; Siedetemp.> (--> Saeure); 2. CH2N2, Ae.;

DOI:10.1021/jo01076a025

upstream raw materials:

diazomethane

4,4'-dimethoxybenzilic acid

methyl iodide

Downstream raw materials:

1,1-bis-(4-methoxy-phenyl)-2,2-di-p-tolyl-ethane-1,2-diol

Refernces

• 1、 -. "Phenyl-imidazolyl-fatty acid derivatives". . . Retrieved 2008/06/13.