[(2,2,2-Trifluoroethoxy)methyl]benzene

Base Information

• Chemical Name: [(2,2,2-Trifluoroethoxy)methyl]benzene
• CAS No.: 67696-28-0
• Molecular Formula: C9H9F3O
• Molecular Weight: 190.165
• DSSTox Substance ID: DTXSID50505434
• Nikkaji Number: J3.268.520J
• Wikidata: Q82360553

Synonyms:[(2,2,2-trifluoroethoxy)methyl]benzene;67696-28-0;SCHEMBL8157722;DTXSID50505434;DEMDYEJUAMZMSJ-UHFFFAOYSA-N;2,2,2-trifluoro-ethoxy-methyl-benzene

Chemical Property of [(2,2,2-Trifluoroethoxy)methyl]benzene

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 190.06054939
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of [(2,2,2-Trifluoroethoxy)methyl]benzene

There total 24 articles about [(2,2,2-Trifluoroethoxy)methyl]benzene 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: 95.0%

2,2,2-trifluoroethanol (75-89-8) + benzyl bromide (100-39-0) → ((2,2,2-trifluoroethoxy)methyl)benzene (67696-28-0)

Guidance literature:

2,2,2-trifluoroethanol; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

benzyl bromide; In tetrahydrofuran; at 65 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.tetlet.2013.10.097

Reference yield: 89.0%

2,2,2-trifluoroethanol (75-89-8) + N-benzyl-N'-(4-toluenesulfonyloxy)diimide N-oxide (25370-91-6) → ((2,2,2-trifluoroethoxy)methyl)benzene (67696-28-0) + benzaldehyde (100-52-7) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With sodium acetate; In water; at 42 ℃;

DOI:10.1039/c39860001433

Reference yield: 84.0%

bis(2,2,2-trifluoroethoxy)triphenylphosphorane (67696-25-7) + benzyl alcohol (100-51-6,185532-71-2) → ((2,2,2-trifluoroethoxy)methyl)benzene (67696-28-0)

Guidance literature:

In diethyl ether; dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/jo01313a008

upstream raw materials:

2,2,2-trifluoroethanol

benzyl chloride

bis(2,2,2-trifluoroethoxy)triphenylphosphorane

benzyl alcohol

Downstream raw materials:

1,1-difluoroprop-1-en-2-yl 4-methylbenzenesulfonate

C₉H₉F₂⁽¹⁸⁾FO

benzyl alcohol

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