4'-Phenoxy-2,2,2-trifluoroacetophenone

Base Information

• Chemical Name: 4'-Phenoxy-2,2,2-trifluoroacetophenone
• CAS No.: 70783-32-3
• Molecular Formula: C14H9F3O2
• Molecular Weight: 266.219
• DSSTox Substance ID: DTXSID80375127
• Nikkaji Number: J758.120C
• Wikidata: Q82163661
• Mol file: 70783-32-3.mol

Synonyms:4'-Phenoxy-2,2,2-trifluoroacetophenone;70783-32-3;2,2,2-trifluoro-1-(4-phenoxyphenyl)ethanone;2,2,2-trifluoro-1-(4-phenoxyphenyl)ethan-1-one;Ethanone,2,2,2-trifluoro-1-(4-phenoxyphenyl)-;SCHEMBL7248002;DTXSID80375127;MFCD00042392;4-(Trifluoroacetyl)phenylphenyl ether;AKOS005259442;2,2,2-trifluoro1-(4-phenoxyphenyl)ethanone;FT-0641312;2,2,2-trifluoro-1-(4-phenoxyphenyl)-ethanone;EN300-1861598;A836991

Chemical Property of 4'-Phenoxy-2,2,2-trifluoroacetophenone

Chemical Property:

• Vapor Pressure: 0.000344mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 319.2 °C at 760 mmHg
• Flash Point: 142.1 °C
• PSA: 26.30000
• Density: 1.28 g/cm³
• LogP: 4.22390
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 266.05546401
• Heavy Atom Count: 19
• Complexity: 300

Purity/Quality:

98%min ^*data from raw suppliers

4'-Phenoxy-2,2,2-trifluoroacetophenone 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C(F)(F)F

Technology Process of 4'-Phenoxy-2,2,2-trifluoroacetophenone

There total 10 articles about 4'-Phenoxy-2,2,2-trifluoroacetophenone 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: 92.0%

4-phenoxyphenylboronic acid (51067-38-0) + 2,2,2‐trifluoro‐N‐(p-toluenesulfonyl)‐N‐phenylacetamide → 2,2,2-trifluoro-1-(4-phenoxyphenyl)-ethanone (70783-32-3)

Guidance literature:

With palladium diacetate; potassium carbonate; tricyclohexylphosphine; In tetrahydrofuran; at 50 ℃; for 24h; Inert atmosphere;

Reference yield: 79.0%

diphenylether (101-84-8) + 1-(trifluoroacetyl)-4-(dimethylamino)pyridinium trifluoroacetate → 2,2,2-trifluoro-1-(4-phenoxyphenyl)-ethanone (70783-32-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 15h; Ambient temperature;

DOI:10.1055/s-1996-4444

Reference yield: 76.0%

4'-bromo-2,2,2-trifluoroacetophenone (16184-89-7) + sodium phenoxide (139-02-6) → 2,2,2-trifluoro-1-(4-phenoxyphenyl)-ethanone (70783-32-3)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; toluene; at 120 ℃; for 30h;

DOI:10.1016/S0040-4039(97)10175-7

upstream raw materials:

diphenylether

2-(trifluoroacetyloxy)pyridine

4-phenoxyphenylmagnesium bromide

trifluoroacetic anhydride

Downstream raw materials:

2,2,2-Trifluoro-1,1-bis-(4-phenoxy-phenyl)-ethanol

2,2,2-trifluoro-1-(4-phenoxyphenyl)ethan-1-ol

N-methoxy-N-methylbenzamide

5-[1,1-bis(4-aminophenyl)-2,2,2-trifluoroethyl]-2-(4-sulfophenoxy)benzenesulfonic acid

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