Benzeneacetic acid, 4-chloro-a-(1-Methylethyl)-, Methyl ester

Base Information

• Chemical Name: Benzeneacetic acid, 4-chloro-a-(1-Methylethyl)-, Methyl ester
• CAS No.: 86618-06-6
• Molecular Formula: C12H15ClO2
• Molecular Weight: 226.703
• Mol file: 86618-06-6.mol

Synonyms:Benzeneacetic acid, 4-chloro-a-(1-Methylethyl)-, Methyl ester;2-(4-Chloro-phenyl)-3-methyl-butyric acid methyl ester

Chemical Property of Benzeneacetic acid, 4-chloro-a-(1-Methylethyl)-, Methyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 3.25260

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Chloro-phenyl)-3-methyl-butyricAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzeneacetic acid, 4-chloro-a-(1-Methylethyl)-, Methyl ester

There total 5 articles about Benzeneacetic acid, 4-chloro-a-(1-Methylethyl)-, 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: 100.0%

methanol (67-56-1) + 2-(4-chlorophenyl)-3-methylbutyric acid (2012-74-0,55291-27-5,55332-38-2,63640-09-5) → methyl 2-(4-chlorophenyl)-3-methylbutanoate (86618-06-6,104486-05-7)

Guidance literature:

sulfuric acid; at 20 ℃;

Reference yield:

bromochlorobenzene (106-39-8) + C12H23BO4 → methyl 2-(4-chlorophenyl)-3-methylbutanoate (86618-06-6,104486-05-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; silver(l) oxide; catacxium A; In toluene; at 70 ℃; for 24h;

DOI:10.1021/jacs.8b00614

Reference yield:

Methyl 3,3-dimethylacrylate (924-50-5) → methyl 2-(4-chlorophenyl)-3-methylbutanoate (86618-06-6,104486-05-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: (IPr)Cu(OAc)2 / toluene / 1 h

1.2: 20 °C

2.1: catacxium A; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; silver(l) oxide / toluene / 24 h / 70 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; (IPr)Cu(OAc)2; silver(l) oxide; catacxium A; In toluene;

DOI:10.1021/jacs.8b00614

upstream raw materials:

2-iodo-propane

(4-chloro-phenyl)-acetic acid methyl ester

p-chlorobenzyl cyanide

methanol

Downstream raw materials:

methyl-2-(4-hydroxyphenyl)-3-methylbutanoate

S-isopropyl-4-chlorophenylacetic acid

(R)-2-(4-chlorophenyl)-3-methylbutyric acid

(S)-2-(4-chlorophenyl)isovaleric acid methyl ester

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