Ethanone, 1-[4-chloro-2-(methylthio)-5-pyrimidinyl]-

Base Information

• Chemical Name: Ethanone, 1-[4-chloro-2-(methylthio)-5-pyrimidinyl]-
• CAS No.: 66116-82-3
• Molecular Formula: C₇H₇ClN₂OS
• Molecular Weight: 202.664

Synonyms:1-(4-Chloro-2-methylsulfanyl-pyrimidin-5-yl)ethanone;1-(4-chloro-2-(methylthio)pyrimidin-5-yl)ethanone;

Chemical Property of Ethanone, 1-[4-chloro-2-(methylthio)-5-pyrimidinyl]-

Chemical Property:

• Melting Point: 50 - 52 °C
• PSA: 68.15000
• LogP: 2.05450

Purity/Quality:

98% ^*data from raw suppliers

1-(4-Chloro-2-(methylthio)pyrimidin-5-yl)ethanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

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Technology Process of Ethanone, 1-[4-chloro-2-(methylthio)-5-pyrimidinyl]-

There total 5 articles about Ethanone, 1-[4-chloro-2-(methylthio)-5-pyrimidinyl]- 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: 72.0%

5-acetyl-2-(methylthio)pyrimidin-4(3H)-one (66116-81-2) → 1-(4-chloro-2-(methylthio)pyrimidin-5-yl)ethan-1-one (66116-82-3)

Guidance literature:

With trichlorophosphate; at 80 ℃; for 2h;

DOI:10.1007/s10593-013-1269-2

Reference yield: 49.3%

4-chloro-N-methoxy-N-methyl-2-(methylthio)pyrimidine-5-carboxamide + methylmagnesium bromide (75-16-1) → 1-(4-chloro-2-(methylthio)pyrimidin-5-yl)ethan-1-one (66116-82-3)

Guidance literature:

In tetrahydrofuran; at -78 - -10 ℃; Inert atmosphere;

DOI:10.1039/c5md00208g

Reference yield:

5-acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (66116-80-1) → 1-(4-chloro-2-(methylthio)pyrimidin-5-yl)ethan-1-one (66116-82-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / water / 24 h / 20 °C

2: trichlorophosphate / 2 h / 80 °C

With sodium hydroxide; trichlorophosphate; In water;

DOI:10.1007/s10593-013-1269-2

upstream raw materials:

5-acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

5-acetyl-2-(methylthio)pyrimidin-4(3H)-one

methylmagnesium bromide

4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylic acid

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