4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone

Base Information

• Chemical Name: 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone
• CAS No.: 845823-11-2
• Molecular Formula: C₁₀H₉F₃O₂
• Molecular Weight: 218.175
• Hs Code.: 2914790090
• DSSTox Substance ID: DTXSID10374860
• Wikidata: Q82163433
• Mol file: 845823-11-2.mol

Synonyms:845823-11-2;4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone;2,2,2-trifluoro-1-(4-methoxy-2-methylphenyl)ethanone;2,2,2-TRIFLUORO-1-(4-METHOXY-2-METHYLPHENYL)ETHAN-1-ONE;2,2,2-trifluoro-1-(4-methoxy-2-methyl-phenyl)-ethanone;DTXSID10374860;MFCD03844198;AKOS014648002;AB16781;CS-0280520;EN300-1933794;A864071

Chemical Property of 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone

Chemical Property:

• Vapor Pressure: 0.0123mmHg at 25°C
• Boiling Point: 260.4±35.0 °C(Predicted)
• Density: 1.228±0.06 g/cm3(Predicted)
• XLogP3: 3.1
• 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-2'-methyl-2,2,2-trifluoroacetophenone 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OC)C(=O)C(F)(F)F

Technology Process of 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone

There total 1 articles about 4'-Methoxy-2'-methyl-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: 71.0%

4-methoxy-2-methylbenzoic acid (6245-57-4) + (trifluoromethyl)trimethylsilane (81290-20-2) → 2,2,2-trifluoro-1-(4-methoxy-2-methylphenyl)ethan-1-one (845823-11-2)

Guidance literature:

With dmap; cesium fluoride; trifluoroacetic anhydride; at 120 ℃; for 15h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.1c01720

upstream raw materials:

4-methoxy-2-methylbenzoic acid

(trifluoromethyl)trimethylsilane