4'-CYANO-2,2,2-TRIFLUOROACETOPHENONE

Base Information

• Chemical Name: 4'-CYANO-2,2,2-TRIFLUOROACETOPHENONE
• CAS No.: 23516-85-0
• Molecular Formula: C9H4F3NO
• Molecular Weight: 199.132
• Hs Code.: 2926909090
• Mol file: 23516-85-0.mol

Synonyms:4-CYANO-2,2,2-TRIFLUOROACETOPHENONE;4-(2,2,2-trifluoroacetyl)benzonitrile;Benzonitrile, 4-(trifluoroacetyl)-;4-(cyano)-α,α,α-trifluoroacetophenone

Chemical Property of 4'-CYANO-2,2,2-TRIFLUOROACETOPHENONE

Chemical Property:

• Vapor Pressure: 0.00723mmHg at 25°C
• Refractive Index: 1.474
• Boiling Point: 269.5 °C at 760 mmHg
• Flash Point: 116.8 °C
• PSA: 40.86000
• Density: 1.36 g/cm³
• LogP: 2.30328
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%, ^*data from raw suppliers

4''-Cyano-2,2,2-trifluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4'-CYANO-2,2,2-TRIFLUOROACETOPHENONE

There total 12 articles about 4'-CYANO-2,2,2-TRIFLUOROACETOPHENONE 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%

→ 4-(2,2,2-trifluoroacetyl)benzonitrile (23516-85-0)

Guidance literature:

Reference yield: 97.0%

4-(2,2,2-trifluoro-1-hydroxyethyl)benzonitrile (107018-37-1) → 4-(2,2,2-trifluoroacetyl)benzonitrile (23516-85-0)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate; for 19h; Reflux;

DOI:10.1016/j.tetlet.2013.06.045

Reference yield: 51.0%

4-cyanobenzoic acid methyl ester (1129-35-7) + (trifluoromethyl)trimethylsilane (81290-20-2) → 4-(2,2,2-trifluoroacetyl)benzonitrile (23516-85-0)

Guidance literature:

With cesium fluoride; In tetrahydrofuran; at 20 ℃; for 1h;

upstream raw materials:

4-bromobenzenecarbonitrile

trifluoroacetic anhydride

4-cyanobenzaldehyde

4-(2,2,2-trifluoro-1-hydroxyethyl)benzonitrile

Downstream raw materials:

4-(1,1,1-trifluoroprop-2-en-2-yl)benzonitrile

(R)-4-(2,2,2-trifluoro-1-hydroxy-1-(1H-pyrrol-2-yl)ethyl)benzonitrile

Refernces

• 1、 Ispizua-Rodriguez, Xanath,Munoz, Socrates B.,Krishnamurti, Vinayak,Mathew, Thomas,Prakash. "Direct Synthesis of Tri-/Difluoromethyl Ketones from Carboxylic Acids by Cross-Coupling with Acyloxyphosphonium Ions". . p. 15908 - 15913. Retrieved 2021/10/07.
• 2、 Miller, Shelli A.,Bisset, Kathryn A.,Leadbeater, Nicholas E.,Eddy, Nicholas A.. "Catalytic Oxidation of Alcohols Using a 2,2,6,6-Tetramethylpiperidine-N-hydroxyammonium Cation". supporting information. p. 1413 - 1417. Retrieved 2019/01/04.