(E)-3-(DIMETHYLAMINO)-1-[3-(TRIFLUOROMETHYL)PHENYL]-2-BUTEN-1-ONE

Base Information

• Chemical Name: (E)-3-(DIMETHYLAMINO)-1-[3-(TRIFLUOROMETHYL)PHENYL]-2-BUTEN-1-ONE
• CAS No.: 96604-34-1
• Molecular Formula: C13H14F3NO
• Molecular Weight: 257.25200
• Mol file: 96604-34-1.mol

Synonyms:(3-dimethylamino)-1[3-(trifluoromethyl)phenyl]-2-butene-1-one;(E)-3-Dimethylamino-1-(3-trifluoromethyl-phenyl)-but-2-en-1-one;

Chemical Property of (E)-3-(DIMETHYLAMINO)-1-[3-(TRIFLUOROMETHYL)PHENYL]-2-BUTEN-1-ONE

Chemical Property:

• Melting Point: 56 - 58 °C
• Boiling Point: 296.6±40.0 °C(Predicted)
• PKA: 5.47±0.70(Predicted)
• PSA: 20.31000
• Density: 1.163±0.06 g/cm3(Predicted)
• LogP: 3.35350

Purity/Quality:

97% ^*data from raw suppliers

(E)-3-(DIMETHYLAMINO)-1-[3-(TRIFLUOROMETHYL)PHENYL]-2-BUTEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (E)-3-(DIMETHYLAMINO)-1-[3-(TRIFLUOROMETHYL)PHENYL]-2-BUTEN-1-ONE

There total 2 articles about (E)-3-(DIMETHYLAMINO)-1-[3-(TRIFLUOROMETHYL)PHENYL]-2-BUTEN-1-ONE 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: 88.0%

3'-(trifluoromethyl)acetophenone (349-76-8) + N,N-dimethylacetamide diethyl acetal (19429-85-7) → 3-(dimethylamino)-1-<3-trifluoromethylphenyl>-2-buten-1-one (96604-34-1)

Guidance literature:

at 120 ℃; for 3h;

Reference yield:

N,N-dimethylacetamide dimethyl acetal (18871-66-4) + 3'-(trifluoromethyl)acetophenone (349-76-8) → 3-(dimethylamino)-1-<3-trifluoromethylphenyl>-2-buten-1-one (96604-34-1)

Guidance literature:

In toluene; Reflux;

DOI:10.1071/CH14349

Reference yield: 53.0%

1H-benzimidazol-2-amine (934-32-7) + 3-(dimethylamino)-1-<3-trifluoromethylphenyl>-2-buten-1-one (96604-34-1) → 4-methyl-2-<3-(trifluoromethyl)phenyl>pyrimido<1,2-a>benzimidazole (112778-81-1) + 2-methyl-4-<3-(trifluoromethyl)phenyl>pyrimido<1,2-a>benzimidazole (112778-80-0)

Guidance literature:

In acetic acid; for 5h; Heating;

upstream raw materials:

3'-(trifluoromethyl)acetophenone

N,N-dimethylacetamide diethyl acetal

N,N-dimethylacetamide dimethyl acetal

Downstream raw materials:

4-methyl-2-<3-(trifluoromethyl)phenyl>pyrimido<1,2-a>benzimidazole

2-methyl-4-<3-(trifluoromethyl)phenyl>pyrimido<1,2-a>benzimidazole

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