1-(5-Pyrimidinyl)ethanone

Base Information

• Chemical Name: 1-(5-Pyrimidinyl)ethanone
• CAS No.: 10325-70-9
• Molecular Formula: C6H6N2O
• Molecular Weight: 122.126
• Hs Code.: 29335990
• Mol file: 10325-70-9.mol

Synonyms:Ketone,methyl 5-pyrimidinyl (7CI,8CI);1-Pyrimidin-5-ylethanone;5-Acetylpyrimidine;

Chemical Property of 1-(5-Pyrimidinyl)ethanone

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.0909mmHg at 25°C
• Melting Point: 87-88 °C
• Refractive Index: 1.516
• Boiling Point: 224.5 °C at 760 mmHg
• PKA: 1.03±0.10(Predicted)
• Flash Point: 92.1 °C
• PSA: 42.85000
• Density: 1.136 g/cm³
• LogP: 0.67920
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99.0% ^*data from raw suppliers

1-(Pyrimidin-5-yl)ethanone 95%-98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 5-Acetylpyrimidine is a substituted pyrimidine used in the study for prediction of relative potency of ketone protease inhibitors using molecular orbital theory.

Technology Process of 1-(5-Pyrimidinyl)ethanone

There total 8 articles about 1-(5-Pyrimidinyl)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: 73.0%

5-(α-hydroxyethyl)pyrimidine (79691-74-0) → 1-(pyrimidin-5-yl)ethan-1-one (10325-70-9)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 3h;

DOI:10.1007/BF00506042

Reference yield: 45.0%

5-bromopyrimidine (4595-59-9) + N-Methoxy-N-methylacetamide (78191-00-1) → 1-(pyrimidin-5-yl)ethan-1-one (10325-70-9)

Guidance literature:

5-bromopyrimidine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

N-Methoxy-N-methylacetamide; In tetrahydrofuran; hexane; at -78 - 0 ℃;

Reference yield: 34.0%

1-(4,6-dichloropyrimidine-5-yl)ethane-1-one (60025-06-1) → 1-(pyrimidin-5-yl)ethan-1-one (10325-70-9)

Guidance literature:

With hydrogen; magnesium oxide; palladium on activated charcoal; In ethanol; for 8h;

DOI:10.1007/BF00506042

upstream raw materials:

5-(α-hydroxyethyl)pyrimidine

1-(4,6-dichloropyrimidine-5-yl)ethane-1-one

2-methylimidazole

9-Phenylfluorene

Downstream raw materials:

9-Phenylfluorene

2-methylimidazole

(E)-1-(pyrimidin-5-yl)-ethanone oxime

1-(5-pyrimidyl)-3-(dimethylamino)-2-propene-1-one