3,3,3-Trifluoro-1-phenylpropan-1-one

Base Information

• Chemical Name: 3,3,3-Trifluoro-1-phenylpropan-1-one
• CAS No.: 709-21-7
• Molecular Formula: C9H7F3O
• Molecular Weight: 188.149
• Hs Code.: 2914790090
• European Community (EC) Number: 813-502-7
• DSSTox Substance ID: DTXSID20431453
• Nikkaji Number: J607.736F
• Wikidata: Q82245335
• Mol file: 709-21-7.mol

Synonyms:3,3,3-trifluoro-1-phenylpropan-1-one;709-21-7;2,2,2-Trifluoroethyl phenyl ketone;PHENYL-2,2,2-TRIFLUOROETHYL-KETONE;PHENYL-2,2,2-TRIFLUOROETHYL KETONE;3,3,3-trifluoro-1-phenyl-propan-1-one;1-Propanone, 3,3,3-trifluoro-1-phenyl-;trifluoromethyl acetophenone;SCHEMBL70367;DTXSID20431453;beta,beta,beta-Trifluoropropiophenone;BBL103785;MFCD00514585;STL557595;AKOS009339044;AS-33008;CS-0109821;FT-0691945;EN300-41577;Z385417048

Chemical Property of 3,3,3-Trifluoro-1-phenylpropan-1-one

Chemical Property:

• Vapor Pressure: 0.63mmHg at 25°C
• Melting Point: 37-37.5 °C
• Boiling Point: 187.434oC at 760 mmHg
• Flash Point: 75.611oC
• PSA: 17.07000
• Density: 1.223g/cm3
• LogP: 2.82170
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 188.04489933
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

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

3,3,3-Trifluoro-1-phenylpropan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,3,3-Trifluoro-1-phenylpropan-1-one

There total 101 articles about 3,3,3-Trifluoro-1-phenylpropan-1-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: 96.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + Langlois reagent (2926-29-6) → 3,3,3-trifluoro-1-phenylpropan-1-one (709-21-7)

Guidance literature:

With N-benzyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide; oxygen; barium(II) hydroxide; In N,N-dimethyl acetamide; at 20 ℃; Irradiation;

DOI:10.1055/s-0036-1592003

Reference yield: 93.0%

1-acetoxy-1-phenylethene (2206-94-2) + Langlois reagent (2926-29-6) → 3,3,3-trifluoro-1-phenylpropan-1-one (709-21-7)

Guidance literature:

With tert.-butylhydroperoxide; copper(l) iodide; In water; acetonitrile; at 0 - 20 ℃; for 2h; Reagent/catalyst; Concentration; Time;

DOI:10.1016/j.jfluchem.2014.01.020

Reference yield: 92.0%

1-styrenyloxytrimethylsilane (13735-81-4) + phenyltrifluoromethyl iodine chloride → 3,3,3-trifluoro-1-phenylpropan-1-one (709-21-7)

Guidance literature:

In N,N-dimethyl-formamide; at 50 ℃; for 15h; Inert atmosphere; Schlenk technique;

upstream raw materials:

Vinylidene fluoride

benzoyl fluoride

phenylperfluoroisobutylene

1-(1-phenylvinyl)pyrrolidine

Downstream raw materials:

1-(3-Brom-phenyl)-2-trifluormethyl-ethylen

1-(3-bromophenyl)-3,3,3-trifluoropropan-1-ol

3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol

1-Nitro-3-(3,3,3-trifluoro-1-nitrooxy-propyl)-benzene