Methyl 2-(2-methoxyphenyl)-2-methylpropanoate

Base Information

• Chemical Name: Methyl 2-(2-methoxyphenyl)-2-methylpropanoate
• CAS No.: 40801-03-4
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.257
• DSSTox Substance ID: DTXSID70551998
• Wikidata: Q82431947

Synonyms:METHYL 2-(2-METHOXYPHENYL)-2-METHYLPROPANOATE;40801-03-4;DTXSID70551998;A904621;METHYL2-(2-METHOXYPHENYL)-2-METHYLPROPANOATE

Chemical Property of Methyl 2-(2-methoxyphenyl)-2-methylpropanoate

Chemical Property:

• Boiling Point: 283.3±23.0 °C(Predicted)
• Density: 1.040±0.06 g/cm3(Predicted)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(2-methoxyphenyl)-2-methylpropanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C1=CC=CC=C1OC)C(=O)OC

Technology Process of Methyl 2-(2-methoxyphenyl)-2-methylpropanoate

There total 6 articles about Methyl 2-(2-methoxyphenyl)-2-methylpropanoate 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: 96.0%

2-bromo-2-methylpropionic acid methyl ester (23426-63-3) + 2-bromoanisole (578-57-4) → methyl 2-(2-methoxyphenyl)-2-methylpropanoate (40801-03-4)

Guidance literature:

2-bromo-2-methylpropionic acid methyl ester; With zinc; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere; Sealed tube;

2-bromoanisole; With di-μ-bromobis(tri-tert-butylphosphino)dipalladium(I); In tetrahydrofuran; at 20 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1021/jo401476f

Reference yield: 91.0%

Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) + 2-bromoanisole (578-57-4) → methyl 2-(2-methoxyphenyl)-2-methylpropanoate (40801-03-4)

Guidance literature:

Methyl isobutyrate; With sodium hexamethyldisilazane; In toluene; at 0 ℃; for 1h; Inert atmosphere; Sealed tube;

With zinc(II) chloride; In tetrahydrofuran; toluene; at 70 ℃; for 1h; Inert atmosphere; Sealed tube;

2-bromoanisole; With di-μ-bromobis(tri-tert-butylphosphino)dipalladium(I); In tetrahydrofuran; toluene; at 70 ℃; for 4h; Inert atmosphere; Sealed tube;

DOI:10.1021/jo401476f

Reference yield: 25.0%

Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) + 4-iodoanisol (529-28-2) → methyl 2-(2-methoxyphenyl)-2-methylpropanoate (40801-03-4)

Guidance literature:

Methyl isobutyrate; With 2,2,6,6-tetramethylpiperidinyl-lithium; In toluene; at 20 ℃; for 0.25h; Glovebox;

4-iodoanisol; With di-μ-iodobis(tri-t-butylphosphino)dipalladium(l); In toluene; at 20 ℃; for 24h; chemoselective reaction; Glovebox;

DOI:10.1055/s-0037-1610087

upstream raw materials:

Methyl (+/-)-2-(2-Methoxyphenyl)propanoate

methyl iodide

2-bromo-2-methylpropionic acid methyl ester

2-bromoanisole

Downstream raw materials:

2-<2-methoxy-5-(2-thienylcarbonyl)phenyl>-2-methylpropanoic acid

2-[2-hydroxy-5-(2-thienylcarbonyl)phenyl]-2-methylpropanoic acid

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