5-Fluoro-2-methyl-6-sulfanylpyrimidin-4(3H)-one

Base Information

• Chemical Name: 5-Fluoro-2-methyl-6-sulfanylpyrimidin-4(3H)-one
• CAS No.: 1480-92-8
• Molecular Formula: C5H5FN2OS
• Molecular Weight: 160.172
• DSSTox Substance ID: DTXSID50697560
• Wikidata: Q82627488
• Mol file: 1480-92-8.mol

Synonyms:DTXSID50697560;5-Fluoro-2-methyl-6-sulfanylpyrimidin-4(3H)-one

Chemical Property of 5-Fluoro-2-methyl-6-sulfanylpyrimidin-4(3H)-one

Chemical Property:

• Melting Point: 241-243 °C
• PKA: 5.91±0.50(Predicted)
• PSA: 84.81000
• Density: 1.48 g/cm³
• LogP: 0.91840
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 160.01066212
• Heavy Atom Count: 10
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

5-Fluoro-2-(methylthio)pyrimidin-4-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(C(=O)N1)F)S

Technology Process of 5-Fluoro-2-methyl-6-sulfanylpyrimidin-4(3H)-one

There total 3 articles about 5-Fluoro-2-methyl-6-sulfanylpyrimidin-4(3H)-one 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:

→ 5-fluoro-2-methylthio-3H-pyrimidin-4-one (1480-92-8)

Guidance literature:

DOI:10.1021/ja01573a087

Reference yield:

2-methylisothiourea sulphate (14527-26-5,867-44-7,147895-43-0) + ethyl monofluoromalonaldehyde potassium enolate (144640-98-2) → 5-fluoro-2-methylthio-4(1H)-pyrimidinone (1480-92-8) + 5-fluoro-6-(fluoro-methyl)-2-(methylthio)pyrimidin-4(1H)-one (704-32-5) + 5-fluoro-2-methylthio-6-methylthiomethyl-4(1H)pyrimidinone (105885-61-8)

Guidance literature:

With sodium methylate; In methanol; for 2h; Heating;

DOI:10.1248/cpb.33.5053

Reference yield:

→ 5-fluoro-2-methylthio-3H-pyrimidin-4-one (1480-92-8)

Guidance literature:

Pyrimidin (8), NaOH;

DOI:10.3891/acta.chem.scand.33b-0515

upstream raw materials:

2-methylisothiourea sulphate

ethyl monofluoromalonaldehyde potassium enolate

Downstream raw materials:

5-fluorouracil

5-fluoro-2-thiouracil