4'-Methoxy-3'-(trifluoromethyl)acetophenone

Base Information

• Chemical Name: 4'-Methoxy-3'-(trifluoromethyl)acetophenone
• CAS No.: 149105-10-2
• Molecular Formula: C10H9 F3 O2
• Molecular Weight: 218.175
• Hs Code.: 2914700090
• European Community (EC) Number: 640-251-9
• DSSTox Substance ID: DTXSID40379500
• Wikidata: Q72486260
• Mol file: 149105-10-2.mol

Synonyms:149105-10-2;4'-Methoxy-3'-(trifluoromethyl)acetophenone;1-(4-Methoxy-3-(trifluoromethyl)phenyl)ethanone;4-Methoxy-3-(trifluoromethyl)acetophenone;1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanone;1-[4-Methoxy-3-(trifluoromethyl)phenyl]ethan-1-one;Ethanone, 1-[4-methoxy-3-(trifluoromethyl)phenyl]-;MFCD01091010;4/'-METHOXY-3/'-(TRIFLUOROMETHYL)ACETOPHENONE;SCHEMBL79042;DTXSID40379500;AKOS005257602;FS-2088;4'-methoxy-3'-trifluoromethylacetophenone;CS-0155120;FT-0643427;A19718;EN300-1929515

Chemical Property of 4'-Methoxy-3'-(trifluoromethyl)acetophenone

Chemical Property:

• Refractive Index: 1.449
• Boiling Point: 259.2°Cat760mmHg
• Flash Point: 107.3°C
• PSA: 26.30000
• Density: 1.222g/cm³
• LogP: 2.91660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 218.05546401
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

4'-Methoxy-3'-(trifluoromethyl)acetophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OC)C(F)(F)F
• Uses: 1-?[4-?Methoxy-?3-?(trifluoromethyl)?phenyl]?ethanone is a reagent used in the synthesis of triazoles which maintain anti-hepatoma activity.

Technology Process of 4'-Methoxy-3'-(trifluoromethyl)acetophenone

There total 4 articles about 4'-Methoxy-3'-(trifluoromethyl)acetophenone 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: 89.8%

sodium methylate (124-41-4) + 1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone (208173-24-4) → 1-[4-Methoxy-3-(trifluoromethyl)phenyl]ethanone (149105-10-2)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; Cooling with ether-dry ice;

Reference yield:

4-methoxy-3-(trifluoromethyl)benzonitrile (261951-87-5) + methylmagnesium chloride (676-58-4) → 1-[4-Methoxy-3-(trifluoromethyl)phenyl]ethanone (149105-10-2)

Guidance literature:

4-methoxy-3-(trifluoromethyl)benzonitrile; methylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 17h; Heating / reflux;

With hydrogenchloride; water; In tetrahydrofuran;

Reference yield:

1-[4-hydroxy-3-(trifluoromethyl)phenyl]ethan-1-one (149105-11-3) + methyl iodide (74-88-4) → 1-[4-Methoxy-3-(trifluoromethyl)phenyl]ethanone (149105-10-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 3h;

upstream raw materials:

4-methoxy-3-(trifluoromethyl)benzonitrile

methylmagnesium chloride

sodium methylate

1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone

Downstream raw materials:

2-bromo-1-(4-methoxy-3-(trifluoromethyl)phenyl)ethanone