3,4,5-Trifluorobenzophenone

Base Information

• Chemical Name: 3,4,5-Trifluorobenzophenone
• CAS No.: 70028-88-5
• Molecular Formula: C₁₃H₇F₃O
• Molecular Weight: 236.193
• Hs Code.: 2914700090
• European Community (EC) Number: 671-448-8
• DSSTox Substance ID: DTXSID50380329
• Wikidata: Q82170524
• Mol file: 70028-88-5.mol

Synonyms:3,4,5-Trifluorobenzophenone;70028-88-5;phenyl(3,4,5-trifluorophenyl)methanone;phenyl-(3,4,5-trifluorophenyl)methanone;Methanone, phenyl(3,4,5-trifluorophenyl)-;Methanone,phenyl(3,4,5-trifluorophenyl)-;SCHEMBL3974706;DTXSID50380329;MFCD00083525;AKOS005946727;PS-10063;CS-0312962;FT-0614140;phenyl-[3,4,5-tris(fluoranyl)phenyl]methanone;A836742

Chemical Property of 3,4,5-Trifluorobenzophenone

Chemical Property:

• Vapor Pressure: 0.000322mmHg at 25°C
• Melting Point: 161-165?°C(lit.)
• Refractive Index: 1.534
• Boiling Point: 320.2 °C at 760 mmHg
• Flash Point: 146.3 °C
• PSA: 17.07000
• Density: 1.31 g/cm³
• LogP: 3.33490
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 236.04489933
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

3,4,5-Trifluorobenzophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4,5-Trifluorobenzophenone

There total 9 articles about 3,4,5-Trifluorobenzophenone 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: 97.0%

phenyl(3,4,5-trifluorophenyl)methanol → phenyl(3,4,5-trifluorophenyl)methanone (70028-88-5)

Guidance literature:

With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; potassium bromide; In dichloromethane; water; for 2h; Inert atmosphere;

DOI:10.1021/jacs.6b05738

Reference yield: 94.0%

C11H12F3NO + phenylmagnesium bromide (100-58-3) → phenyl(3,4,5-trifluorophenyl)methanone (70028-88-5)

Guidance literature:

C₁₁H₁₂F₃NO; phenylmagnesium bromide; With chromium chloride; chloro-trimethyl-silane; In tetrahydrofuran; at 20 ℃; for 12h;

With water; ammonium chloride;

DOI:10.1021/acscatal.8b01380

Reference yield: 81.0%

benzenesufonyl hydrazide (80-17-1) + 3,4,5-trifluorobenzonitrile (134227-45-5) → phenyl(3,4,5-trifluorophenyl)methanone (70028-88-5)

Guidance literature:

With 2,2'-biquinoline; water; palladium diacetate; In dimethyl sulfoxide; at 80 ℃; for 6h; under 760.051 Torr;

DOI:10.1021/acs.joc.8b00211

upstream raw materials:

bromobenzene

(3,4,5-difluorophenyl)diphenylmethanol

3,4,5-trifluorobenzaldehyde

phenylmagnesium bromide

Downstream raw materials:

(3,4,5-difluorophenyl)diphenylmethanol

Refernces

• 1、 -. "Preparation method of aromatic ketone". Paragraph 0046; 0047; 0048; 0050. . Retrieved 2018/09/11.
• 2、 Meng, Mengting,Yang, Liangfeng,Cheng, Kai,Qi, Chenze. "Pd(II)-Catalyzed Denitrogenative and Desulfinative Addition of Arylsulfonyl Hydrazides with Nitriles". . p. 3275 - 3284. Retrieved 2018/03/25.