2-Propanone, 1-phenyl-3-[3-(trifluoromethyl)phenyl]-

Base Information

• Chemical Name: 2-Propanone, 1-phenyl-3-[3-(trifluoromethyl)phenyl]-
• CAS No.: 59756-57-9
• Molecular Formula: C16H13 F3 O
• Molecular Weight: 278.274
• European Community (EC) Number: 261-915-0
• DSSTox Substance ID: DTXSID8069359
• Nikkaji Number: J298.230G
• Wikidata: Q72499140
• Mol file: 59756-57-9.mol

Synonyms:59756-57-9;2-Propanone, 1-phenyl-3-[3-(trifluoromethyl)phenyl]-;1-PHENYL-3-[3-(TRIFLUOROMETHYL)PHENYL]ACETONE;1-Phenyl-3-(3-(trifluoromethyl)phenyl)propan-2-one;1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one;EINECS 261-915-0;1-PHENYL-3-(3-TRIFLUOROMETHYLPHENYL)-2-PROPANONE;1-Phenyl-3-(3-(trifluoromethyl)phenyl)acetone;2-Propanone, 1-phenyl-3-(3-(trifluoromethyl)phenyl)-;1-Phenyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-2-propanone;DTXSID8069359;SCHEMBL10900761;C16H13F3O;C16-H13-F3-O;AKOS011914695;TS-00959;CS-0363803;FT-0626491;N14187;1-Phenyl-3-[3-(trifluoromethyl) phenyl]acetone;1-Phenyl-3-[3-(trifluoromethyl)phenyl]-2-propanone

Chemical Property of 2-Propanone, 1-phenyl-3-[3-(trifluoromethyl)phenyl]-

Chemical Property:

• Appearance/Colour: Pale yellow liquid
• Vapor Pressure: 0.000223mmHg at 25°C
• Melting Point: 140-145 ºC (4mmHg)
• Boiling Point: 326 ºC at 760 mmHg
• Flash Point: 179.9 ºC
• PSA: 17.07000
• Density: 1.209 g/cm³
• LogP: 4.05970
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 278.09184952
• Heavy Atom Count: 20
• Complexity: 318

Purity/Quality:

98%Min ^*data from raw suppliers

1-Phenyl-3-[3-(trifluoromethyl)phenyl]acetone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)CC2=CC(=CC=C2)C(F)(F)F

Technology Process of 2-Propanone, 1-phenyl-3-[3-(trifluoromethyl)phenyl]-

There total 4 articles about 2-Propanone, 1-phenyl-3-[3-(trifluoromethyl)phenyl]- 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:

(3-trifluoromethylphenyl)benzylcarbonylacetonitrile (68084-26-4) → 1-phenyl-3-(3-trifluoromethylphenyl)-2-propanone (59756-57-9)

Guidance literature:

With sulfuric acid; acetic acid; In water; at 45 - 105 ℃; for 11h; Large scale;

Reference yield:

3-Trifluoromethylbenzyl chloride (705-29-3) → 1-phenyl-3-(3-trifluoromethylphenyl)-2-propanone (59756-57-9)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrabutylammomium bromide / water / 9 h / 40 °C / Large scale

2: sodium methylate / toluene / 1 h / 40 °C / Large scale

3: acetic acid; sulfuric acid / water / 11 h / 45 - 105 °C / Large scale

With sulfuric acid; tetrabutylammomium bromide; sodium methylate; acetic acid; In water; toluene; 2: |Claisen Condensation;

Reference yield:

α,α,α-trifluorotoluene (98-08-8) → 1-phenyl-3-(3-trifluoromethylphenyl)-2-propanone (59756-57-9)

Guidance literature:

Multi-step reaction with 4 steps

1: sulfuric acid; chlorosulfonic acid / water / 15 h / 20 - 30 °C / Large scale

2: tetrabutylammomium bromide / water / 9 h / 40 °C / Large scale

3: sodium methylate / toluene / 1 h / 40 °C / Large scale

4: acetic acid; sulfuric acid / water / 11 h / 45 - 105 °C / Large scale

With chlorosulfonic acid; sulfuric acid; tetrabutylammomium bromide; sodium methylate; acetic acid; In water; toluene; 1: |Blanc Chloromethylation Reaction / 3: |Claisen Condensation;

upstream raw materials:

3-Trifluoromethylbenzyl chloride

(3-trifluoromethylphenyl)benzylcarbonylacetonitrile

α,α,α-trifluorotoluene

Downstream raw materials:

fluridone

1-methyl-3-phenyl-5-(3-trifluoromethylphenyl)-4-piperidinone

1-allyl-3-phenyl-5-(3-trifluoromethylphenyl)-4(1H)-pyridinone

1-allyl-3-phenyl-5-(3-trifluoromethylphenyl)-4-piperidinone

Refernces

• 1、 -. "Synthesis of phenylacetic acid esters". . . Retrieved 2008/06/13.