5-Fluoropyrimidin-2-one

Base Information

• Chemical Name: 5-Fluoropyrimidin-2-one
• CAS No.: 2022-78-8
• Molecular Formula: C4H3FN2O
• Molecular Weight: 114.0778
• Hs Code.: 2933599090
• European Community (EC) Number: 624-556-4,851-599-8
• NSC Number: 529069
• UNII: 1VXI7T1BI5
• DSSTox Substance ID: DTXSID90174067
• Nikkaji Number: J648.108F
• Wikidata: Q27216155
• ChEMBL ID: CHEMBL4303165
• Mol file: 2022-78-8.mol

Synonyms:5-fluoropyrimidin-2-one

Chemical Property of 5-Fluoropyrimidin-2-one

Chemical Property:

• Melting Point: 170-174ºC
• PKA: 7.39±0.10(Predicted)
• PSA: 46.01000
• Density: 1.46g/cm³
• LogP: 0.32130
• Storage Temp.: 2-8°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.02294089
• Heavy Atom Count: 8
• Complexity: 173

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Fluoro-2-hydroxypyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=O)N1)F
• Uses: 5-Fluoro-2-hydroxypyrimidine can be used as a reactant in the preparation of: Manganese fluoro(hydroxy)pyrimidinato aqua dinuclear complex [Mn2(Fpymo)4(H2O)4]. 2-Chloro-5-fluoropyrimidine by treating with POCl3.

Technology Process of 5-Fluoropyrimidin-2-one

There total 4 articles about 5-Fluoropyrimidin-2-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: 60.0%

4-thio-5-fluorouracil (671-41-0) → 5-fluoro-2-pyrimidinone (2022-78-8)

Guidance literature:

With ammonium hydroxide; nickel; for 1h; Heating;

DOI:10.1021/jm00115a017

Reference yield:

Flucytosine (2022-85-7) → 5-fluoro-2-pyrimidinone (2022-78-8)

Guidance literature:

With Bifidobacterium longum cytosine deaminase; In various solvent(s);

DOI:10.1271/bbb.66.2362

Reference yield:

→ 5-fluoro-2-pyrimidinone (2022-78-8)

Guidance literature:

2-Pyrimidinon Ia, F2, HF;

upstream raw materials:

4-thio-5-fluorouracil

Flucytosine

Downstream raw materials:

1-(4-Chlorobenzyloxy)methyl-5-fluoropyrimidin-2-one

1-Propargyl-5-fluor-pyrimid-2-on

Refernces

• 1、 -. "Process for selectively producing 1-phosphorylated sugar derivative anomer and process for producing nucleoside". . . Retrieved 2008/06/13.