4-Fluoro-3-methylphenyl 4-fluorophenyl ketone

Base Information

• Chemical Name: 4-Fluoro-3-methylphenyl 4-fluorophenyl ketone
• CAS No.: 59396-50-8
• Molecular Formula: C14H10 F2 O
• Molecular Weight: 232.23
• European Community (EC) Number: 261-733-1
• DSSTox Substance ID: DTXSID90208114
• Nikkaji Number: J298.141F
• Wikidata: Q83082211
• Mol file: 59396-50-8.mol

Synonyms:59396-50-8;4-Fluoro-3-methylphenyl 4-fluorophenyl ketone;(4-fluoro-3-methylphenyl)(4-fluorophenyl)methanone;(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methanone;EINECS 261-733-1;Methanone, (4-fluoro-3-methylphenyl)(4-fluorophenyl)-;SCHEMBL11110423;DTXSID90208114;AMY28179;4,4'-Difluoro-3-Methylbenzophenone;MFCD09891276;CS-0168031;4-Fluoro-3-methylphenyl(4-fluorophenyl) ketone;W17022;A928701;(4-Fluoro-3-methyl-phenyl)-(4-fluoro-phenyl)-methanone

Chemical Property of 4-Fluoro-3-methylphenyl 4-fluorophenyl ketone

Chemical Property:

• Vapor Pressure: 0.000101mmHg at 25°C
• Boiling Point: 338°C at 760 mmHg
• Flash Point: 129.5°C
• PSA: 17.07000
• Density: 1.208g/cm³
• LogP: 3.50420
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 232.06997126
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

98%Min ^*data from raw suppliers

(4-Fluoro-3-methyl-phenyl)-(4-fluoro-phenyl)-methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)F)F

Technology Process of 4-Fluoro-3-methylphenyl 4-fluorophenyl ketone

There total 3 articles about 4-Fluoro-3-methylphenyl 4-fluorophenyl ketone 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: 87.5%

→ 4-fluoro-3-methylphenyl 4-fluorophenyl ketone (59396-50-8)

Guidance literature:

Reference yield: 70.0%

C21H18B3F3O3 + 4-fluorobenzoic anhydride (25569-77-1) → 4-fluoro-3-methylphenyl 4-fluorophenyl ketone (59396-50-8)

Guidance literature:

With copper(l) iodide; palladium(II) trifluoroacetate; triphenyl-arsane; norbornene; potassium carbonate; p-benzoquinone; In toluene; at 100 ℃; for 14h; Sealed tube; Molecular sieve;

DOI:10.1016/j.chempr.2019.02.005

Reference yield: 61.5%

2-Fluorotoluene (95-52-3) + 4-fluoro-1-trichloromethylbenzene (402-42-6) → 4-fluoro-3-methylphenyl 4-fluorophenyl ketone (59396-50-8)

Guidance literature:

With potassium hydroxide; HF; boron trifluoride; In water;

upstream raw materials:

2-Fluorotoluene

4-fluoro-1-trichloromethylbenzene

4-fluorobenzoic anhydride

Refernces

• 1、 -. "Process for the acylation of halo- or trihalomethylbenzenes". . . Retrieved 2008/06/13.
• 2、 Srivastava,Bahel. "Synthesis of fluorinated diaryl ketones, substituted phenoxymethyl 5' fluoro 2' methoxyphenylketones and their thiosemicarbazones as potential fungicides". . p. 801 - 803. Retrieved 2007/10/15.