2',4'-Dimethoxy-2,2,2-trifluoroacetophenone

Base Information

• Chemical Name: 2',4'-Dimethoxy-2,2,2-trifluoroacetophenone
• CAS No.: 578-16-5
• Molecular Formula: C10H9F3O3
• Molecular Weight: 234.175
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20399342
• Nikkaji Number: J741.151K
• Mol file: 578-16-5.mol

Synonyms:578-16-5;2',4'-DIMETHOXY-2,2,2-TRIFLUOROACETOPHENONE;1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethanone;MFCD00835330;1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethan-1-one;2,2,2-Trifluoro-2',4'-dimethoxyacetophenone;SCHEMBL1950595;DTXSID20399342;SLMOFSKRLCGLIX-UHFFFAOYSA-N;AKOS009156372;CS-0302496;FT-0632427;F72296;EN300-1929838;A831619;1-(2,4-dimethoxyphenyl)-2,2,2-trifluoro-ethanone;2,2,2-Trifluoro-2',4'-dimethoxyacetophenone, 95%;alpha,alpha,alpha-Trifluoro-2',4'-dimethoxyacetophenone

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

Chemical Property:

• Melting Point: 48-52 °C(lit.)
• Boiling Point: 283.5oC at 760 mmHg
• Flash Point: >230 °F
• PSA: 35.53000
• Density: 1.263g/cm3
• LogP: 2.44880
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 234.05037863
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-Trifluoro-2′,4′-dimethoxyacetophenone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C(=O)C(F)(F)F)OC

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

There total 6 articles about 2',4'-Dimethoxy-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: 99.0%

1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethanol → 2,2,2-trifluoro-1-(2,4-dimethoxyphenyl)ethan-1-one (578-16-5)

Guidance literature:

1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethanol; With 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate; In dichloromethane; at 20 ℃; for 0.0833333h;

With 2,6-dimethylpyridine; In dichloromethane; at 20 ℃; Sealed tube;

DOI:10.1039/c9cc04265b

Reference yield: 87.0%

trifluoroacetic anhydride (407-25-0) + 1,3-Dimethoxybenzene (151-10-0) → 2,2,2-trifluoro-1-(2,4-dimethoxyphenyl)ethan-1-one (578-16-5)

Guidance literature:

With CoCl₂; at 100 ℃; for 15h;

DOI:10.1016/0040-4039(96)00870-2

Reference yield:

N-(trifluoroacetyl)piperidine (340-07-8) + 1-Bromo-2,4-dimethoxybenzene (17715-69-4) → 2,2,2-trifluoro-1-(2,4-dimethoxyphenyl)ethan-1-one (578-16-5)

Guidance literature:

1-Bromo-2,4-dimethoxybenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

N-(trifluoroacetyl)piperidine; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 3h;

DOI:10.1002/anie.201307903

upstream raw materials:

2,4-dihydroxy-1’,1’,1’-trifluoroacetophenone

methyl iodide

trifluoroacetic anhydride

1,3-Dimethoxybenzene

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