3-(Trifluoromethyl)benzophenone

Base Information

• Chemical Name: 3-(Trifluoromethyl)benzophenone
• CAS No.: 728-81-4
• Molecular Formula: C14H9F3O
• Molecular Weight: 250.22
• Hs Code.: 2914700090
• European Community (EC) Number: 211-973-8
• UNII: GLM8ZD9GJF
• DSSTox Substance ID: DTXSID50223121
• Nikkaji Number: J150.045G
• Wikidata: Q63408907
• Mol file: 728-81-4.mol

Synonyms:3-(Trifluoromethyl)benzophenone;728-81-4;Phenyl(3-(trifluoromethyl)phenyl)methanone;phenyl-[3-(trifluoromethyl)phenyl]methanone;Phenyl[3-(trifluoromethyl)phenyl]methanone;m-Trifluoromethylbenzophenone;3-TRIFLUOROMETHYLBENZOPHENONE;EINECS 211-973-8;Methanone, phenyl[3-(trifluoromethyl)phenyl]-;Methanone, phenyl(3-(trifluoromethyl)phenyl)-;GLM8ZD9GJF;3-Trifluoromethyl benzophenone;m-(Trifluoromethyl)benzophenone;SCHEMBL1044812;3-(trifluoro)methyl benzophenone;DTXSID50223121;MFCD00000389;AKOS009157014;PS-7479;AC-11415;phenyl-(3-trifluoromethyl-phenyl)-methanone;CS-0313898;FT-0613933;Methanone,phenyl[3-(trifluoromethyl)phenyl]-;Phenyl[3-(trifluoromethyl)phenyl]methanone #;E82679;Q63408907

Chemical Property of 3-(Trifluoromethyl)benzophenone

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.000973mmHg at 25°C
• Melting Point: 52-53 °C(lit.)
• Refractive Index: 1.519
• Boiling Point: 302.7 °C at 760 mmHg
• Flash Point: 153.8 °C
• PSA: 17.07000
• Density: 1.244 g/cm³
• LogP: 3.93640
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 250.06054939
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

3-(Trifluoromethyl)benzophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(F)(F)F

Technology Process of 3-(Trifluoromethyl)benzophenone

There total 42 articles about 3-(Trifluoromethyl)benzophenone 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: 99.2%

1-(1-phenylethenyl)-3-(trifluoromethyl)benzene (395-10-8) → 3-(trifluoromethyl)benzophenone (728-81-4)

Guidance literature:

With oxygen; at 110 ℃; for 8h; Sealed tube;

Reference yield: 98.0%

1-(3-(trifluoromethyl)benzoyl)piperidine-2,6-dione + phenylboronic acid (98-80-6) → 3-(trifluoromethyl)benzophenone (728-81-4)

Guidance literature:

With (bis(tricyclohexyl)phosphine)palladium(II) dichloride; boric acid; potassium carbonate; In tetrahydrofuran; at 20 - 120 ℃; for 15h; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.202000122

Reference yield: 94.0%

pentafluorophenyl benzoate (1548-84-1) + (meta-(trifluoromethyl)phenyl)boronic acid (1423-26-3) → 3-(trifluoromethyl)benzophenone (728-81-4)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium carbonate; tricyclohexylphosphine tetrafluoroborate; In 1,4-dioxane; at 120 ℃; for 15h; Inert atmosphere; Schlenk technique;

DOI:10.3390/molecules23123134

upstream raw materials:

3-(trifluoromethyl)benzhydrol

3-(Trifluoromethyl)benzoyl chloride

benzene

3-trifluoromethylbenzonitrile

Downstream raw materials:

α-ethenyl-α-phenyl-3-(trifluoromethyl)benzenemethanol

3-(trifluoromethyl)benzhydrol

3,3''-Bis-trifluormethyl-benzpinakon

2-<4-Brom-phenyl>-1-phenyl-1-<3-trifluormethyl-phenyl>-aethylen

Refernces

• 1、 Yu, Tao,Guo, Mingqing,Wen, Simiaomiao,Zhao, Rongrong,Wang, Jinlong,Sun, Yanli,Liu, Qixing,Zhou, Haifeng. "Poly(ethylene glycol) dimethyl ether mediated oxidative scission of aromatic olefins to carbonyl compounds by molecular oxygen". . p. 13848 - 13852. Retrieved 2021/04/22.
• 2、 He, Min,Yu, Xiaoqiang,Wang, Yi,Li, Fei,Bao, Ming. "Self-Assembled 2,3-Dicyanopyrazino Phenanthrene Aggregates as a Visible-Light Photocatalyst". . p. 5016 - 5025. Retrieved 2021/04/12.