1-(4-(Trifluoromethyl)phenyl)propan-2-one

Base Information

• Chemical Name: 1-(4-(Trifluoromethyl)phenyl)propan-2-one
• CAS No.: 713-45-1
• Molecular Formula: C10H9F3O
• Molecular Weight: 202.176
• Hs Code.: 2914700090
• European Community (EC) Number: 889-584-3
• UNII: 7H76NK2U26
• DSSTox Substance ID: DTXSID80494044
• Nikkaji Number: J515.595I
• Wikidata: Q82341117
• Mol file: 713-45-1.mol

Synonyms:1-(4-(trifluoromethyl)phenyl)propan-2-one;713-45-1;1-[4-(trifluoromethyl)phenyl]propan-2-one;2-Propanone, 1-[4-(trifluoromethyl)phenyl]-;MFCD00045104;1-[4-(Trifluoromethyl)phenyl]acetone;1-[4-(Trifluoromethyl)phenyl]-2-propanone;SCHEMBL265118;DTXSID80494044;UIPDPUXNQIWJLF-UHFFFAOYSA-N;7H76NK2U26;BCP27077;4-TRIFLUOROMETHYLPHENYLACETONE;CL9159;Methyl 3-trifluoromethylbenzyl ketone;AKOS011394854;Methyl 4-(trifluoromethyl)benzyl ketone;DS-17314;SY116630;CS-0042568;FT-0688498;A15522;EN300-101861;A866457;2-Propanone, (alpha,alpha,alpha-trifluoro-p-tolyl)-;2-Propanone, 1-(alpha,alpha,alpha-trifluoro-p-tolyl)-;Z959307852

Chemical Property of 1-(4-(Trifluoromethyl)phenyl)propan-2-one

Chemical Property:

• Vapor Pressure: 0.151mmHg at 25°C
• Boiling Point: 214.982oC at 760 mmHg
• Flash Point: 95.755oC
• PSA: 17.07000
• Density: 1.194g/cm3
• LogP: 2.83690
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 202.06054939
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(trifluoromethyl)phenyl]propan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=CC=C(C=C1)C(F)(F)F
• Uses: 1-[4-(Trifluoromethyl)phenyl]propan-2-one is used in the preparation and catalytic activity of a highly congested carbazoyl-derived P,N-type phosphine ligand for the Pd-catalyzed acetone monoarylations.

Technology Process of 1-(4-(Trifluoromethyl)phenyl)propan-2-one

There total 16 articles about 1-(4-(Trifluoromethyl)phenyl)propan-2-one 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: 80.0%

4-chlorobenzotrifluoride (98-56-6) + acetone (67-64-1) → 1-[(4-trifluoromethyl)phenyl]-2-propanone (713-45-1)

Guidance literature:

With potassium phosphate; 2-(2,6-dimethoxyphenyl)-1-methyl-3-(diphenylphosphino)-1H-indole; palladium diacetate; at 90 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b02344

Reference yield: 78.0%

1-allyl-4-(trifluoromethyl)benzene (1813-97-4) → 1-[(4-trifluoromethyl)phenyl]-2-propanone (713-45-1)

Guidance literature:

With iron(III) sulfate; palladium(II) trifluoroacetate; sodium 2,2,2-trifluoroacetate; In water; acetonitrile; at 45 ℃; Inert atmosphere; Darkness;

DOI:10.1002/adsc.201900179

Reference yield: 74.0%

Isopropenyl acetate (108-22-5) + 4-trifluoromethylphenylamine (455-14-1) → 1-[(4-trifluoromethyl)phenyl]-2-propanone (713-45-1)

Guidance literature:

4-trifluoromethylphenylamine; With methanesulfonic acid; 2,2-dimethylpropyl nitrite; In water; acetone; at 25 ℃; for 0.166667h; Green chemistry;

Isopropenyl acetate; In water; acetone; at 20 ℃; for 6h; Irradiation; Green chemistry;

DOI:10.1039/c8gc00012c

upstream raw materials:

p-trifluoromethylphenyl bromide

methyloxirane

4-(trifluoromethyl)phenylmagnesium bromide

chloroacetone

Downstream raw materials:

2-Methyl-1-(p-trifluormethylphenyl)-2-butanol

5-Hydroxy-5-methyl-4-(4-trifluoromethyl-phenyl)-5H-furan-2-one

3-[2-oxo-1-(4-trifluoromethylphenyl)propyl]-4-ethoxycyclobut-3-ene-1,2-dione

6-methyl-4-methylsulfanyl-2-oxo-5-(4-trifluoromethyl-phenyl)-2H-pyran-3-carbonitrile