2-(Trifluoromethyl)benzophenone

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzophenone
• CAS No.: 727-99-1
• Molecular Formula: C14H9F3O
• Molecular Weight: 250.22
• Hs Code.: 2914700090
• European Community (EC) Number: 211-972-2
• UNII: Q7K3BJ3MGJ
• DSSTox Substance ID: DTXSID70223002
• Nikkaji Number: J193.098B
• Wikidata: Q63409207
• Mol file: 727-99-1.mol

Synonyms:2-(Trifluoromethyl)benzophenone;727-99-1;Phenyl(2-(trifluoromethyl)phenyl)methanone;phenyl-[2-(trifluoromethyl)phenyl]methanone;o-Trifluoromethylbenzophenone;Phenyl[2-(trifluoromethyl)phenyl]methanone;C14H9F3O;Methanone, phenyl[2-(trifluoromethyl)phenyl]-;EINECS 211-972-2;MFCD00000377;(PHENYL-(2-TRIFLUOROMETHYL-PHENYL)METHANONE);2-(Trifluoromethyl)Benzophenone98%;Methanone, phenyl(2-(trifluoromethyl)phenyl)-;Q7K3BJ3MGJ;2-trifluoromethyl-benzophenone;SCHEMBL3717986;DTXSID70223002;2-TRIFLUOROMETHYLBENZOPHENONE;Benzophenone, 2-(trifluoromethyl)-;2-(Trifluoromethyl)benzophenone, 99%;AKOS005254493;PS-7478;CS-0156557;FT-0608961;Phenyl[2-(trifluoromethyl)phenyl]methanone #;phenyl-[2-(trifluoromethyl)-phenyl]-methanone;A837622;Q63409207

Chemical Property of 2-(Trifluoromethyl)benzophenone

Chemical Property:

• Appearance/Colour: yellow crystal powder
• Vapor Pressure: 4.26E-06mmHg at 25°C
• Melting Point: 60-62 °C
• Refractive Index: 1.56
• Boiling Point: 335 °C at 760 mmHg
• Flash Point: 161.9 °C
• PSA: 17.07000
• Density: 1.244 g/cm³
• LogP: 3.93640
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

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

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(F)(F)F

Technology Process of 2-(Trifluoromethyl)benzophenone

There total 26 articles about 2-(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: 92.0%

phenyl[2-(trifluoromethyl)phenyl]methanol (727-98-0) → 2-trifluoromethylbenzophenone (727-99-1)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; at 0 ℃;

DOI:10.1016/0957-4166(94)80154-1

Reference yield: 85.0%

o-trifluoromethylphenyl bromide (392-83-6) + benzoyl chloride (98-88-4) → 2-trifluoromethylbenzophenone (727-99-1)

Guidance literature:

o-trifluoromethylphenyl bromide; With diisobutylaluminum chloride; diisobutylaluminium hydride; magnesium; lithium chloride; In tetrahydrofuran; n-heptane; at 25 ℃;

benzoyl chloride; With copper(I) cyanide di(lithium chloride); In tetrahydrofuran; n-heptane; at -10 - 25 ℃; for 3h;

DOI:10.1055/s-0028-1088127

Reference yield: 84.0%

1,2-bis(trifluoromethyl)benzene (433-95-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-trifluoromethylbenzophenone (727-99-1)

Guidance literature:

With trifluorormethanesulfonic acid; for 4h; Inert atmosphere;

DOI:10.1039/c0ob01276a

upstream raw materials:

phenyl[2-(trifluoromethyl)phenyl]methanol

2-trifluoromethylbenzoyl chloride

benzene

dibromodifluoromethane

Downstream raw materials:

10,10-Diphenyl-10H-anthracen-9-one

phenyl[2-(trifluoromethyl)phenyl]methanol

1-(trifluoromethyl)benzophenone hydrazone

(R)-phenyl[2-(trifluoromethyl)phenyl]methanol

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、 Jin, Yuxuan,Leng, Xuebing,Liu, He,Shen, Qilong,Wu, Jian. "Mechanistic Insight into Copper-Mediated Trifluoromethylation of Aryl Halides: The Role of CuI". supporting information. p. 14367 - 14378. Retrieved 2021/09/13.