1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)ethane

Base Information

• Chemical Name: 1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)ethane
• CAS No.: 271247-45-1
• Molecular Formula: C₁₄H₁₁F₃N₂OS
• Molecular Weight: 312.315
• Mol file: 271247-45-1.mol

Synonyms:1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)ethane

Chemical Property of 1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)ethane

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)ethane

There total 1 articles about 1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)ethane 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: 15.0%

3-Trifluoromethylbenzyl chloride (705-29-3) + 2-methylsulfanyl-pyrimidine-4-carboxylic acid methoxy-methyl-amide (271247-59-7) → 1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)ethane (271247-45-1)

Guidance literature:

3-Trifluoromethylbenzyl chloride; With iodine; magnesium; In diethyl ether; for 0.5h; Heating;

2-methylsulfanyl-pyrimidine-4-carboxylic acid methoxy-methyl-amide; In diethyl ether; for 4h; Heating;

DOI:10.1016/S0960-894X(01)00834-4

Reference yield: 21.0%

4-(2-chloroacetyl)piperidine-1-carboxylic acid benzyl ester (85475-10-1) + 1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)ethane (271247-45-1) → 1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)-4-oxo-4-(N-carbobenzoxypiperidin-4-yl)butane (443958-81-4)

Guidance literature:

1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)ethane; With sodium hydride; In dimethyl sulfoxide; at 20 ℃; for 0.25h;

4-(2-chloroacetyl)piperidine-1-carboxylic acid benzyl ester; In dimethyl sulfoxide; at 20 ℃; for 18h;

DOI:10.1016/S0960-894X(01)00834-4

Reference yield:

1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)ethane (271247-45-1) → (S)-3-[2-(α-methylbenzylamino)pyrimidin-4-yl]-4-(3-trifluoromethylphenyl)-6-(piperidin-4-yl)pyridazine

Guidance literature:

Multi-step reaction with 6 steps

1.1: NaH / dimethylsulfoxide / 0.25 h / 20 °C

1.2: 21 percent / dimethylsulfoxide / 18 h / 20 °C

2.1: N₂H₄ / ethanol / 5 h / 20 °C

3.1: DDQ / toluene / 0.5 h / 20 °C

4.1: 49 percent / 30 percent H₂O₂; Na₂WO₄*2H₂O / methanol; ethyl acetate / 18 h / Heating

5.1: 94 percent / 3 h / 125 °C

6.1: 30 percent / HBr; HOAc / 1 h / 20 °C

With sodium tungstate; hydrogen bromide; dihydrogen peroxide; sodium hydride; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; hydrazine; In methanol; ethanol; dimethyl sulfoxide; ethyl acetate; toluene;

DOI:10.1016/S0960-894X(01)00834-4

upstream raw materials:

3-Trifluoromethylbenzyl chloride

2-methylsulfanyl-pyrimidine-4-carboxylic acid methoxy-methyl-amide

Downstream raw materials:

1-(2-methylthiopyrimidin-4-yl)-1-oxo-2-(3-trifluoromethylphenyl)-4-oxo-4-(N-carbobenzoxypiperidin-4-yl)butane

3-(2-methylthiopyrimidin-4-yl)-4-(3-trifluoromethylphenyl)-6-(N-carbobenzoxypiperidin-4-yl)peridazine

3-(2-methylsulfonylpyrimidin-4-yl)-4-(3-trifluoromethylphenyl)-6-(N-carbobenzoxypiperidin-4-yl)pyridazine

(S)-3-[2-(α-methylbenzylamino)pyrimidin-4-yl]-4-(3-trifluoromethylphenyl)-6-(N-carbobenzoxypiperidin-4-yl)pyridazine