1-(5-Methylpyrimidin-2-yl)ethanone

Base Information

• Chemical Name: 1-(5-Methylpyrimidin-2-yl)ethanone
• CAS No.: 122372-22-9
• Molecular Formula: C₇H₈N₂O
• Molecular Weight: 136.153
• Hs Code.: 2933599590
• European Community (EC) Number: 809-949-2
• Mol file: 122372-22-9.mol

Synonyms:1-(5-methylpyrimidin-2-yl)ethanone;122372-22-9;1-(5-Methyl-pyrimidin-2-yl)-ethanone;ETHANONE,1-(5-METHYL-2-PYRIMIDINYL)-;1-(5-methylpyrimidin-2-yl)ethan-1-one;SCHEMBL882970;XEA37222;1-(5-methyl-2-pyrimidinyl)ethanone;MFCD09263824;AKOS006330687;SB31999;CS-0282135;EN300-209112

Chemical Property of 1-(5-Methylpyrimidin-2-yl)ethanone

Chemical Property:

• PSA: 42.85000
• LogP: 0.98760
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 136.063662883
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

97% ^*data from raw suppliers

1-(5-Methylpyrimidin-2-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(N=C1)C(=O)C

Technology Process of 1-(5-Methylpyrimidin-2-yl)ethanone

There total 2 articles about 1-(5-Methylpyrimidin-2-yl)ethanone 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: 80.0%

2-(α-ethoxyvinyl)-5-methylpyrimidine → 1-(5-methylpyrimidin-2-yl)ethanone (122372-22-9)

Guidance literature:

With hydrogenchloride; In acetone; for 18h; Ambient temperature;

Reference yield:

2-chloro-5-methylpyrimidine (22536-61-4) → 1-(5-methylpyrimidin-2-yl)ethanone (122372-22-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 46 percent / dichlorobis(triphenylphosphine)palladium(II) / dimethylformamide / 15 h / 100 °C

2: 80 percent / aq. HCl / acetone / 18 h / Ambient temperature

With hydrogenchloride; bis-triphenylphosphine-palladium(II) chloride; In N,N-dimethyl-formamide; acetone;

Reference yield:

1-(5-methylpyrimidin-2-yl)ethanone (122372-22-9) → 2-[2-(2,5-dimethyl-4-nitrobenzyl)-1,3-thiazol-4-yl]-5-methylpyrimidine (1421922-78-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 2,6-dimethylpyridine; trimethylsilyl trifluoromethanesulfonate / chloroform / 0.5 h / Cooling with ice; Inert atmosphere

1.2: 0.67 h / 20 °C / Inert atmosphere

2.1: isopropyl alcohol / 1 h / 80 °C

With 2,6-dimethylpyridine; trimethylsilyl trifluoromethanesulfonate; In chloroform; isopropyl alcohol;

upstream raw materials:

2-chloro-5-methylpyrimidine

Downstream raw materials:

2-[2-(2,5-dimethyl-4-nitrobenzyl)-1,3-thiazol-4-yl]-5-methylpyrimidine

2,5-dimethyl-4-{[4-(5-methylpyrimidin-2-yl)-1,3-thiazol-2-yl]methyl}aniline

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