5-Fluoro-4-hydroxypyrimidine

Base Information

• Chemical Name: 5-Fluoro-4-hydroxypyrimidine
• CAS No.: 671-35-2
• Molecular Formula: C4H3FN2O
• Molecular Weight: 114.079
• Hs Code.: 29335990
• NSC Number: 529068
• UNII: XB4K113EL0
• DSSTox Substance ID: DTXSID90217403
• Nikkaji Number: J87.033A
• Wikidata: Q27293759
• ChEMBL ID: CHEMBL472692
• Mol file: 671-35-2.mol

Synonyms:5-fluoro-4-pyrimidinol;fluoxidine;fluoxydine

Chemical Property of 5-Fluoro-4-hydroxypyrimidine

Chemical Property:

• Vapor Pressure: 0.458mmHg at 25°C
• Melting Point: 204-205 °C(Solv: water (7732-18-5))
• Refractive Index: 1.369
• Boiling Point: 203.752 °C at 760 mmHg
• PKA: 7.13±0.40(Predicted)
• Flash Point: 77.027 °C
• PSA: 46.01000
• Density: 1.453 g/cm³
• LogP: 0.32130
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 114.02294089
• Heavy Atom Count: 8
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

5-Fluoro-4-hydroxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC=N1)F
• Uses: 5-Fluoro-4-hydroxypyrimidine is a precursor in the synthesis of the antifungal Voriconazole (V760000). Also used as a reagent in the synthesis of 4-methyl-1,2,3-thiadiazole-5-carboxylates as antiviral agents, activators, and fungicides for treatment and prevention of plant diseases such as tobacco mosaic virus.

Technology Process of 5-Fluoro-4-hydroxypyrimidine

There total 1 articles about 5-Fluoro-4-hydroxypyrimidine 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-4-hydroxypyrimidine (671-35-2)

Guidance literature:

Carbonsaeure IX, Δ;

Reference yield:

5-fluoro-4-hydroxypyrimidine (671-35-2) → 2,4-dichloro-5-fluoropyrimidine (347418-42-2)

Guidance literature:

With trichlorophosphate; Heating;

Downstream raw materials:

2,4-dichloro-5-fluoropyrimidine