5-Fluoropyrimidine-4,6-diol

Base Information

• Chemical Name: 5-Fluoropyrimidine-4,6-diol
• CAS No.: 106615-61-6
• Molecular Formula: C₄H₃FN₂O₂
• Molecular Weight: 130.078
• Hs Code.: 29335990
• European Community (EC) Number: 600-757-2
• DSSTox Substance ID: DTXSID50457848
• Wikidata: Q72476874
• Mol file: 106615-61-6.mol

Synonyms:5-Fluoropyrimidine-4,6-diol;106615-61-6;5-FLUORO-PYRIMIDINE-4,6-DIOL;5-Fluoro-6-hydroxypyrimidin-4(3H)-one;5-fluoro-4-hydroxy-1H-pyrimidin-6-one;4(1H)-Pyrimidinone, 5-fluoro-6-hydroxy-;MFCD21642024;4,6-dihydroxy-5-fluoropyrimidine;5-fluoro-6-hydroxy-3,4-dihydropyrimidin-4-one;5-FLUORO-4,6-DIHYDROXYPYRIMIDINE;SCHEMBL874203;4,6-dihydro-5-fluoropyrimidine;DTXSID50457848;XGSFAIWGUAFXSG-UHFFFAOYSA-N;MFCD09033260;AKOS005254312;AKOS028108881;CS-W000796;GS-5764;PB25105;AM802884;SY024367;FT-0645725;5-FLUORO-6-HYDROXY-4(3H)-PYRIMIDINONE;P12966;W-200756;5-fluoropyrimidine-4,6-diol

Chemical Property of 5-Fluoropyrimidine-4,6-diol

Chemical Property:

• Vapor Pressure: 0.000869mmHg at 25°C
• Refractive Index: 1.612
• Boiling Point: 295.4 °C at 760 mmHg
• PKA: 3.42±0.10(Predicted)
• Flash Point: 132.4 °C
• PSA: 66.24000
• Density: 1.73 g/cm³
• LogP: 0.02690
• Storage Temp.: 2-8°C
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 130.01785550
• Heavy Atom Count: 9
• Complexity: 209

Purity/Quality:

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

5-Fluoropyrimidine-4,6-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C(C(=O)N1)F)O
• Uses: 5-Fluoropyrimidine-4,6-diol is used in preparation of Phenylpyrimidine derivatives and analogs for use as Kynurenine-3-monooxygenase inhibitors.

Technology Process of 5-Fluoropyrimidine-4,6-diol

There total 5 articles about 5-Fluoropyrimidine-4,6-diol 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: 75.0%

fluoromalonic acid diethyl ester (685-88-1) + formamide (77287-34-4,77287-35-5,60100-09-6) → 5-fluoropyrimidine-4,6-diol (106615-61-6)

Guidance literature:

With methanol; sodium methylate; at 65 ℃;

Reference yield: 64.0%

fluoromalonic acid diethyl ester (685-88-1) + formamidine acetic acid (3473-63-0) → 5-fluoropyrimidine-4,6-diol (106615-61-6)

Guidance literature:

formamidine acetic acid; With sodium; In ethanol; Reflux;

fluoromalonic acid diethyl ester; In ethanol; for 6.33333h; Reflux;

DOI:10.1039/c5gc00402k

Reference yield: 52.0%

fluoromalonic acid diethyl ester (685-88-1) + formamidine hydrochloride (6313-33-3) → 5-fluoropyrimidine-4,6-diol (106615-61-6)

Guidance literature:

With sodium ethanolate; In ethanol; at 0 - 90 ℃;

upstream raw materials:

fluoromalonic acid diethyl ester

formamidine hydrochloride

formamide

formamidine acetic acid

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF FLUOXASTROBIN AND INTERMEDIATES THEREOF". Page/Page column 23. . Retrieved 2021/12/31.
• 2、 -. "PROCESS FOR PREPARING (E)-(5,6-DIHYDRO-1,4,2-DIOXAZINE-3-YL) (2-HYDROXYPHENYL) METHANONE O-METHYL OXIME". Paragraph 0070. . Retrieved 2016/12/22.