3,3-DIMETHYL-4'-TRIFLUOROMETHYLBUTYROPHENONE

Base Information

• Chemical Name: 3,3-DIMETHYL-4'-TRIFLUOROMETHYLBUTYROPHENONE
• CAS No.: 898764-76-6
• Molecular Formula: C13H15F3O
• Molecular Weight: 244.257
• Hs Code.: 2914700090
• Mol file: 898764-76-6.mol

Synonyms:3,3-DIMETHYL-4'-TRIFLUOROMETHYLBUTYROPHENONE

Chemical Property of 3,3-DIMETHYL-4'-TRIFLUOROMETHYLBUTYROPHENONE

Chemical Property:

• Vapor Pressure: 0.00519mmHg at 25°C
• Boiling Point: 275.1°C at 760 mmHg
• Flash Point: 148.4°C
• PSA: 17.07000
• Density: 1.107g/cm³
• LogP: 4.32430

Purity/Quality:

97% ^*data from raw suppliers

3,3-Dimethyl-4'-trifluoromethylbutyrophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,3-DIMETHYL-4'-TRIFLUOROMETHYLBUTYROPHENONE

There total 3 articles about 3,3-DIMETHYL-4'-TRIFLUOROMETHYLBUTYROPHENONE 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: 89.0%

t-butyl bromide (507-19-7) + trimethyl((1-(4-(trifluoromethyl)phenyl)vinyl)oxy)silane (188912-47-2) → 3,3-dimethyl-1-(4-(trifluoromethyl)phenyl)butan-1-one (898764-76-6)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium acetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; water; at 20 ℃; for 24h; Irradiation;

DOI:10.1021/acscatal.9b04699

Reference yield: 88.0%

(E)-2-((3,3-dimethyl-1-(4-trifluoromethyl)phenyl)but-1-enyl)-4,4,5,5-tetra-methyl-1,3,2-dioxaborolane (1283231-68-4) → 3,3-dimethyl-1-(4-(trifluoromethyl)phenyl)butan-1-one (898764-76-6)

Guidance literature:

With sodium perborate; In tetrahydrofuran; water; at 20 ℃; Inert atmosphere;

DOI:10.1039/c0cc04496b

Reference yield:

1-(3,3-dimethylbut-1-yn-1-yl)-4-(trifluoromethyl)benzene → 3,3-dimethyl-1-(4-(trifluoromethyl)phenyl)butan-1-one (898764-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butylate; tris-(o-tolyl)phosphine; copper(l) chloride / tetrahydrofuran / 0.17 h / Inert atmosphere

1.2: 20 °C / Inert atmosphere

2.1: sodium perborate / tetrahydrofuran; water / 20 °C / Inert atmosphere

With sodium perborate; potassium tert-butylate; tris-(o-tolyl)phosphine; copper(l) chloride; In tetrahydrofuran; water;

DOI:10.1039/c0cc04496b

upstream raw materials:

(E)-2-((3,3-dimethyl-1-(4-trifluoromethyl)phenyl)but-1-enyl)-4,4,5,5-tetra-methyl-1,3,2-dioxaborolane

t-butyl bromide

trimethyl((1-(4-(trifluoromethyl)phenyl)vinyl)oxy)silane

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