2(1H)-Pyrimidinone, 1-cyclohexyl-4-(methylthio)-

Base Information

• Chemical Name: 2(1H)-Pyrimidinone, 1-cyclohexyl-4-(methylthio)-
• CAS No.: 92050-23-2
• Molecular Formula: C11H16N2OS
• Molecular Weight: 224.327
• DSSTox Substance ID: DTXSID50468419
• Nikkaji Number: J2.287.777A
• Wikidata: Q82295605
• Mol file: 92050-23-2.mol

Synonyms:92050-23-2;2(1H)-Pyrimidinone, 1-cyclohexyl-4-(methylthio)-;DTXSID50468419

Chemical Property of 2(1H)-Pyrimidinone, 1-cyclohexyl-4-(methylthio)-

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.09833431
• Heavy Atom Count: 15
• Complexity: 306

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=O)N(C=C1)C2CCCCC2

Technology Process of 2(1H)-Pyrimidinone, 1-cyclohexyl-4-(methylthio)-

There total 1 articles about 2(1H)-Pyrimidinone, 1-cyclohexyl-4-(methylthio)- 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: 90.0%

1-Cyclohexyl-3-[(E)-3-dimethylamino-1-methylsulfanyl-prop-2-en-(E)-ylidene]-urea → 1-cyclohexyl-4-(methylsulfanyl)pyrimidin-2(1H)-one (92050-23-2)

Guidance literature:

With sodium hydride; In acetonitrile; for 5h; Heating;

DOI:10.1002/ejoc.200500556

Reference yield: 92.0%

1-cyclohexyl-4-(methylsulfanyl)pyrimidin-2(1H)-one (92050-23-2) → 1-cyclohexyluracil (712-43-6)

Guidance literature:

With potassium hydroxide; In ethanol; for 4h; Heating;

DOI:10.1002/ejoc.200500556

Reference yield: 53.0%

1-cyclohexyl-4-(methylsulfanyl)pyrimidin-2(1H)-one (92050-23-2) → 1-cyclohexyl-4-thioxopyrimidin-2(1H,3H)-one (21031-76-5)

Guidance literature:

With hydrogen sulfide; In pyridine; triethylamine; for 2h;

DOI:10.1002/ejoc.200500556

Downstream raw materials:

1-cyclohexyluracil

1-cyclohexyl-4-thioxopyrimidin-2(1H,3H)-one