5-chloro-4,6-difluoroPyrimidine

Base Information

• Chemical Name: 5-chloro-4,6-difluoroPyrimidine
• CAS No.: 25096-66-6
• Molecular Formula: C4HClF2N2
• Molecular Weight: 150.515
• European Community (EC) Number: 921-458-6
• DSSTox Substance ID: DTXSID70562847
• Wikidata: Q82447135

Synonyms:5-chloro-4,6-difluoroPyrimidine;25096-66-6;SCHEMBL1897392;DTXSID70562847

Chemical Property of 5-chloro-4,6-difluoroPyrimidine

Chemical Property:

• Vapor Pressure: 1.257mmHg at 25°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 149.9796321
• Heavy Atom Count: 9
• Complexity: 92.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C(C(=N1)F)Cl)F

Technology Process of 5-chloro-4,6-difluoroPyrimidine

There total 2 articles about 5-chloro-4,6-difluoroPyrimidine 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: 50.0%

4,5,6-trichloropyrimidine (1780-27-4) → 4,5,6-trifluoropyrimidine (17573-78-3) + 5-chloro-4,6-difluoro-pyrimidine (25096-66-6)

Guidance literature:

With potassium fluoride; In sulfolane; at 20 - 220 ℃; for 10h; under 3750.38 - 6150.62 Torr;

Reference yield:

→ 5-chloro-4,6-difluoro-pyrimidine (25096-66-6) + 2,4-Diaminobenzenesulfonic acid (88-63-1)

Guidance literature:

Reference yield: 70.7%

5-chloro-4,6-difluoro-pyrimidine (25096-66-6) → 4,5,6-trifluoropyrimidine (17573-78-3)

Guidance literature:

With potassium fluoride; tetraphenylphosphonium bromide; In thiophene; at 240 ℃; for 24h; under 3750.38 - 8250.83 Torr;

upstream raw materials:

4,5,6-trichloropyrimidine

Downstream raw materials:

4,5,6-trifluoropyrimidine

methyl 2-[2-(5-chloro-6-fluoro-4-pyrimidinyloxy)-phenyl]-3-methoxy-acrylate

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