2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine

Base Information

• Chemical Name: 2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine
• CAS No.: 203450-08-2
• Molecular Formula: C₂₁H₁₄FN₃
• Molecular Weight: 327.361
• European Community (EC) Number: 834-539-5
• DSSTox Substance ID: DTXSID501245804
• Nikkaji Number: J1.055.292C
• Mol file: 203450-08-2.mol

Synonyms:2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine;203450-08-2;MFCD28964710;1,3,5-Triazine, 2-(4-fluorophenyl)-4,6-diphenyl-;SCHEMBL18689509;C21H14FN3;DTXSID501245804;AMY37851;AKOS026673983;DS-9928;SB73708;SY116277;CS-0156380;F1045;C73839

Chemical Property of 2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine

Chemical Property:

• Melting Point: 231.0 to 235.0 °C
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 327.11717562
• Heavy Atom Count: 25
• Complexity: 372

Purity/Quality:

≥99% ^*data from raw suppliers

2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4

Technology Process of 2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine

There total 18 articles about 2-(4-Fluorophenyl)-4,6-diphenyl-1,3,5-triazine 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: 99.0%

4-fluorobenzamidine (2339-59-5) + 4,6-diphenyl-1,2,3,5-tetrazine → 2-di(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine (203450-08-2)

Guidance literature:

In acetonitrile; at 25 ℃; for 2h; regioselective reaction;

DOI:10.1021/jacs.9b07744

Reference yield: 95.3%

2-chloro-4,6-diphenyl-1,3,5-triazine (3842-55-5) + 4-fluoroboronic acid (1765-93-1) → 2-di(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine (203450-08-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; at -20 ℃; Reflux;

DOI:10.1039/c9tc00523d

Reference yield: 95.0%

4-fluorobenzylic alcohol (459-56-3) + benzamidine monohydrochloride (1670-14-0) → 2-di(4-fluorophenyl)-4,6-diphenyl-1,3,5-triazine (203450-08-2)

Guidance literature:

With oxygen; copper(II) acetate monohydrate; sodium carbonate; In toluene; at 110 ℃; for 24h;

DOI:10.1039/c5ob00724k

upstream raw materials:

4-fluorobenzylic alcohol

benzamidine monohydrochloride

p-fluorotoluene

para-fluorobenzylamine

Downstream raw materials:

C₄₁H₂₇N₅