2-(2-Fluoro-phenyl)-2-Methylpropionic acid Methyl ester

Base Information

• Chemical Name: 2-(2-Fluoro-phenyl)-2-Methylpropionic acid Methyl ester
• CAS No.: 861901-19-1
• Molecular Formula: C11H13FO2
• Molecular Weight: 196.221
• Hs Code.: 2916399090
• Mol file: 861901-19-1.mol

Synonyms:2-(2-Fluoro-phenyl)-2-Methylpropionic acid Methyl ester;Methyl 2-(2-fluorophenyl)-2-Methylpropanoate

Chemical Property of 2-(2-Fluoro-phenyl)-2-Methylpropionic acid Methyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 2.27630
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-(2-fluorophenyl)-2-methylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-(2-Fluoro-phenyl)-2-Methylpropionic acid Methyl ester

There total 4 articles about 2-(2-Fluoro-phenyl)-2-Methylpropionic acid Methyl ester 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: 64.3%

methyl o-fluorophenylacetate (57486-67-6) + methyl iodide (74-88-4) → methyl 2-(2-fluorophenyl)-2-methylpropanoate (861901-19-1)

Guidance literature:

methyl o-fluorophenylacetate; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h;

methyl iodide; In tetrahydrofuran; at 20 ℃;

Reference yield:

o-fluorobromobenzene (1072-85-1) + Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) → methyl 2-(2-fluorophenyl)-2-methylpropanoate (861901-19-1)

Guidance literature:

With n-butyllithium; N-cyclohexyl-cyclohexanamine; In toluene; at 0 - 20 ℃; for 0.25h;

Methyl isobutyrate; In toluene; at 20 ℃; for 0.25h;

o-fluorobromobenzene; With tri tert-butylphosphoniumtetrafluoroborate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 20 ℃; for 18h;

Reference yield:

Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) + 1-Fluoro-2-iodobenzene (348-52-7) → methyl 2-(2-fluorophenyl)-2-methylpropanoate (861901-19-1) + 3-(2-fluoro-phenyl)-2-methyl-propionic acid methyl ester (943119-18-4)

Guidance literature:

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

1-Fluoro-2-iodobenzene; With di-μ-iodobis(tri-t-butylphosphino)dipalladium(l); In toluene; at 20 ℃; for 24h; Overall yield = 26 %; Overall yield = 20.6 mg; chemoselective reaction; Glovebox;

DOI:10.1055/s-0037-1610087

upstream raw materials:

methyl o-fluorophenylacetate

methyl iodide

o-fluorobromobenzene

Methyl isobutyrate

Downstream raw materials:

2-methyl-2-(2-fluorophenyl)propanoic acid

diethyl 2-(2-(2-fluorophenyl)-2-methylpropanoyl)malonate

C₁₀H₁₀ClFO

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS". Page/Page column 92. . Retrieved 2018/07/29.
• 2、 Larini, Paolo,Kefalidis, Christos E.,Jazzar, Rodolphe,Renaudat, Alice,Clot, Eric,Baudoin, Olivier. "On the mechanism of the palladium-catalyzed β-arylation of ester enolates". supporting information; experimental part. p. 1932 - 1944. Retrieved 2012/03/22.