5-(4-Fluorophenyl)pyrimidine

Base Information

• Chemical Name: 5-(4-Fluorophenyl)pyrimidine
• CAS No.: 68049-21-8
• Molecular Formula: C₁₀H₇FN₂
• Molecular Weight: 174.177
• ChEMBL ID: CHEMBL3818068
• DSSTox Substance ID: DTXSID301303571
• Nikkaji Number: J2.885.770E
• Mol file: 68049-21-8.mol

Synonyms:5-(4-fluorophenyl)pyrimidine;68049-21-8;SCHEMBL1445169;CHEMBL3818068;DTXSID301303571;Pyrimidine, 5-(4-fluorophenyl)-;EN300-745669

Chemical Property of 5-(4-Fluorophenyl)pyrimidine

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 174.05932639
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CN=CN=C2)F

Technology Process of 5-(4-Fluorophenyl)pyrimidine

There total 8 articles about 5-(4-Fluorophenyl)pyrimidine 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: 98.0%

5-bromopyrimidine (4595-59-9) + 4-fluoroboronic acid (1765-93-1) → 5-(4-fluorophenyl)pyrimidine (68049-21-8)

Guidance literature:

With potassium phosphate tribasic heptahydrate; palladium diacetate; In ethylene glycol; at 80 ℃; for 0.5h;

DOI:10.1002/ejoc.201000962

Reference yield: 95.0%

5-methylpyrimidine (2036-41-1) + 4-fluoroboronic acid (1765-93-1) → 5-(4-fluorophenyl)pyrimidine (68049-21-8)

Guidance literature:

With [Pd(N-(3-chloro-2-quinoxalinyl)-N'-(2,6-diisopropylphenyl)imidazolium)(PPh₃)Cl₂]; potassium carbonate; In water; at 70 ℃; for 3h; Catalytic behavior;

DOI:10.1039/c7dt01433c

Reference yield: 91.8%

formamidine acetic acid (3473-63-0) + (Z)-2-(4-Fluoro-phenyl)-3-methylsulfanyl-propenal (82525-14-2) → 5-(4-fluorophenyl)pyrimidine (68049-21-8)

Guidance literature:

With sodium carbonate; In ethanol; for 6h; Heating;

upstream raw materials:

formamidine acetic acid

(Z)-2-(4-Fluoro-phenyl)-3-methylsulfanyl-propenal

4-fluorobenzaldehyde

1-Fluoro-4-((E)-2-methylsulfanyl-vinyl)-benzene