2-Methyl-2-(4-trifluoroMethyl-phenyl)-propionitrile

Base Information

• Chemical Name: 2-Methyl-2-(4-trifluoroMethyl-phenyl)-propionitrile
• CAS No.: 32445-87-7
• Molecular Formula: C₁₁H₁₀F₃N
• Molecular Weight: 213.202
• Mol file: 32445-87-7.mol

Synonyms:2-methyl-2-(4-(trifluoromethyl)phenyl)propanenitrile

Chemical Property of 2-Methyl-2-(4-trifluoroMethyl-phenyl)-propionitrile

Chemical Property:

Purity/Quality:

2-Methyl-2-(4-trifluoromethyl-phenyl)-propionitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Methyl-2-(4-trifluoroMethyl-phenyl)-propionitrile

There total 8 articles about 2-Methyl-2-(4-trifluoroMethyl-phenyl)-propionitrile 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: 94.0%

Isobutyronitrile (78-82-0) + 4-Fluorobenzotrifluoride (402-44-8) → 2-methyl-2-(4-(trifluoromethyl)phenyl)propanenitrile (32445-87-7)

Guidance literature:

With potassium hexamethylsilazane; In toluene; at 60 ℃; for 0.666667h;

DOI:10.1021/ja9933846

Reference yield: 89.0%

p-trifluoromethylphenyl bromide (402-43-7) + potassium 2-cyano-2-methyl-propanoate (851233-80-2) → 2-methyl-2-(4-(trifluoromethyl)phenyl)propanenitrile (32445-87-7)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,3,5-trimethyl-benzene; at 20 - 140 ℃; for 16.1667h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201006763

Reference yield: 55.0%

Isobutyronitrile (78-82-0) + p-trifluoromethylphenyl bromide (402-43-7) → 2-methyl-2-(4-(trifluoromethyl)phenyl)propanenitrile (32445-87-7)

Guidance literature:

With lithium hexamethyldisilazane; palladium diacetate; 2'-hydroxy-2-di-cyclohexylphosphinobiphenyl-4'-sulfonic acid; In N,N-dimethyl-formamide; at 20 - 80 ℃; for 10.5h;

upstream raw materials:

4-(Trifluoromethyl)phenylacetonitrile

methyl iodide

Isobutyronitrile

4-Fluorobenzotrifluoride

Downstream raw materials:

2-methyl-2-(4-trifluoromethyl-phenyl)-propylamine

3-p-trifluoromethylphenyl-2-butanone

2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one

2-methyl-2-(4-(trifluoromethyl)phenyl)propanal

Refernces

• 1、 Xing, Yidan,Yu, Rongrong,Fang, Xianjie. "Synthesis of Tertiary Benzylic Nitriles via Nickel-Catalyzed Markovnikov Hydrocyanation of α-Substituted Styrenes". supporting information. p. 1008 - 1012. Retrieved 2020/02/04.
• 2、 -. "17a-HYDROXYLASE/C17,20-LYASE INHIBITORS". Paragraph 0440. . Retrieved 2014/03/21.