2-(4-ethylphenyl)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(4-ethylphenyl)-2-methylpropanoic acid
• CAS No.: 1247119-83-0
• Molecular Formula: C12H16O2
• Molecular Weight: 192.25
• Mol file: 1247119-83-0.mol

Synonyms:4-Ethyl-alpha,alpha-dimethylbenzeneacetic acid

Chemical Property of 2-(4-ethylphenyl)-2-methylpropanoic acid

Chemical Property:

• Boiling Point: 302.8±11.0 °C(Predicted)
• PKA: 4.48±0.10(Predicted)
• PSA: 37.30000
• Density: 1.047±0.06 g/cm3(Predicted)
• LogP: 2.61120

Purity/Quality:

99%, ^*data from raw suppliers

2-(4-ethylphenyl)-2-methylpropanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-?(4-?Ethylphenyl)?-?2-?methylpropanoic Acid an intermediate of Alectinib (C183360), a highly selective and potent anaplastic lymphoma kinase (ALK) inhibitor capable of blocking the resistant gatekeeper mutant, which results in reduced cell growth.

Technology Process of 2-(4-ethylphenyl)-2-methylpropanoic acid

There total 18 articles about 2-(4-ethylphenyl)-2-methylpropanoic acid 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: 89.1%

2-(4-ethylphenyl)-2-methyl-1-propanol (85010-92-0) → 2-(4-ethylphenyl)-2-methyl-propanoic acid (1247119-83-0)

Guidance literature:

With sodium hypochlorite solution; sodium chlorite; TEMPO; sodium acetate; acetic acid; In water; acetonitrile; at 0 - 30 ℃; for 12h; pH=6.5; Solvent; Temperature; Reagent/catalyst;

Reference yield: 84.0%

2-(4-acetyl-phenyl)-2-methyl-propionic acid (857768-18-4) → 2-(4-ethylphenyl)-2-methyl-propanoic acid (1247119-83-0)

Guidance literature:

With triethylsilane; trifluoroacetic acid; at 0 - 20 ℃; for 16h; Inert atmosphere;

Reference yield: 83.0%

carbon dioxide (124-38-9,18923-20-1) + 2-chloro-2-(4-ethylphenyl)propane (103859-07-0) → 2-(4-ethylphenyl)-2-methyl-propanoic acid (1247119-83-0)

Guidance literature:

2-chloro-2-(4-ethylphenyl)propane; With iodine; magnesium; In tetrahydrofuran; for 5h; Inert atmosphere; Reflux;

carbon dioxide; at -20 ℃; for 5h; Reagent/catalyst; Temperature; Inert atmosphere;

upstream raw materials:

2-(4-Vinylphenyl)-2-methylpropanoic acid

ethylbenzene

2-bromo-1-(4-ethylphenyl)-2-methyl-propan-1-one

methyl 2-(4-ethylphenyl)-2-methyl-propanoate

Downstream raw materials:

tert-butyl 6-cyano-2-[1-(4-ethyl-3-iodo-phenyl)-1-methyl-ethyl]-1H-indole-3-carboxylate

C⁽²⁴⁸⁾H₅₄₀₂

Refernces

• 1、 -. "Preparation method of aromatic hydrocarbon compound". . . Retrieved 2020/12/30.
• 2、 -. "A NOVEL PROCESS FOR THE PREPARATION OF AN INTERMEDIATE OF ALECTINIB". . . Retrieved 2019/03/12.