4-(TRIFLUOROACETYL)TOLUENE

Base Information

• Chemical Name: 4-(TRIFLUOROACETYL)TOLUENE
• CAS No.: 394-59-2
• Molecular Formula: C9H7F3O
• Molecular Weight: 188.149
• Hs Code.: 29039990
• Mol file: 394-59-2.mol

Synonyms:Acetophenone,2,2,2-trifluoro-4'-methyl- (6CI,7CI,8CI);1-Methyl-4-(trifluoroacetyl)benzene;2,2,2-Trifluoro-1-(4-methylphenyl)ethanone;2,2,2-Trifluoro-4'-methylacetophenone;4-Methyl-a,a,a-trifluoroacetophenone;4-Methylphenyl trifluoromethyl ketone;4'-Methyl-2,2,2-trifluoroacetophenone;NSC 142255;Trifluoromethyl 4-methylphenyl ketone;Trifluoromethyl p-tolylketone;p-Methyl-a,a,a-trifluoroacetophenone;p-Trifluoroacetyltoluene;a,a,a-Trifluoro-p-methylacetophenone;

Chemical Property of 4-(TRIFLUOROACETYL)TOLUENE

Chemical Property:

• Vapor Pressure: 0.439mmHg at 25°C
• Melting Point: 5 °C
• Refractive Index: 1.47
• Boiling Point: 194.5 °C at 760 mmHg
• Flash Point: 78.1 °C
• PSA: 17.07000
• Density: 1.224 g/cm³
• LogP: 2.74000
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

p-Trifluoroacetyltoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Uses: p-Trifluoroacetyltoluene is used as a reagent in the synthesis of 5-methylene-2-(trifluoromethyl)morpholin-3-one derivatives which have fungicidal activity.

Technology Process of 4-(TRIFLUOROACETYL)TOLUENE

There total 40 articles about 4-(TRIFLUOROACETYL)TOLUENE 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: 98.0%

2,2,2-trifluoro-1-(4-methylphenyl)ethanol (446-65-1) → 2,2,2-trifluoro-1-(p-tolyl)ethanone (394-59-2)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate; for 12h; Reflux;

DOI:10.1016/j.tetlet.2013.06.045

Reference yield: 91.5%

toluene (108-88-3,15644-74-3,16713-13-6) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoro-1-(p-tolyl)ethanone (394-59-2)

Guidance literature:

toluene; trifluoroacetic anhydride; With dmap; In dichloromethane; at 0 ℃; for 0.166667h;

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 16h;

DOI:10.1002/anie.201809149

Reference yield: 87.0%

((2,2-difluoro-1-(p-tolyl)vinyl)oxy)trimethylsilane (413597-89-4) → 2,2,2-trifluoro-1-(p-tolyl)ethanone (394-59-2)

Guidance literature:

With Selectfluor; In dichloromethane; acetonitrile; at -78 - 0 ℃;

DOI:10.1016/S0022-1139(03)00039-3

upstream raw materials:

trifluoracetyl chloride

toluene

para-methylphenylmagnesium bromide

trifluoroacetic acid

Downstream raw materials:

2,2,2-trifluoro-1-(4-methylphenyl)ethanol

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzene

1-methyl-4-(perfluoroprop-1-en-2-yl)benzene

1-((Z)-2-Chloro-2-fluoro-1-trifluoromethyl-vinyl)-4-methyl-benzene

Refernces

• 1、 Zhao, Bosheng,Burgess, Kevin. "Click-Addressable Cassette for Photoaffinity Labeling". . p. 155 - 158. Retrieved 2018.
• 2、 Berkowitz, David B.,Kudalkar, Gaurav P.,Lee, Joshua D.,Tiwari, Virendra K.. "A Hammett Study of Clostridium acetobutylicum Alcohol Dehydrogenase (CaADH): An Enzyme with Remarkable Substrate Promiscuity and Utility for Organic Synthesis". supporting information. p. 237 - 247. Retrieved 2020/02/18.
• 3、 Song, Heng,Cheng, Ran,Min, Qiao-Qiao,Zhang, Xingang. "Decarboxylative and Deaminative Alkylation of Difluoroenoxysilanes via Photoredox Catalysis: A General Method for Site-Selective Synthesis of Difluoroalkylated Alkanes". supporting information. p. 7747 - 7751. Retrieved 2020/10/09.