4,6-Bis(4-fluorophenyl)pyrimidine

Base Information

• Chemical Name: 4,6-Bis(4-fluorophenyl)pyrimidine
• CAS No.: 168915-00-2
• Molecular Formula: C16H10F2N2
• Molecular Weight: 268.266
• DSSTox Substance ID: DTXSID70477649
• Nikkaji Number: J693.605I
• Wikidata: Q82310458
• Mol file: 168915-00-2.mol

Synonyms:4,6-Bis(4-fluorophenyl)pyrimidine;168915-00-2;Pyrimidine, 4,6-bis(4-fluorophenyl)-;MFCD14700649;DTXSID70477649;AC8346;SY257814

Chemical Property of 4,6-Bis(4-fluorophenyl)pyrimidine

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.08120465
• Heavy Atom Count: 20
• Complexity: 269

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=NC=N2)C3=CC=C(C=C3)F)F

Technology Process of 4,6-Bis(4-fluorophenyl)pyrimidine

There total 4 articles about 4,6-Bis(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: 91.0%

4,6-dichloropyrimidine (1193-21-1) + 4-fluoroboronic acid (1765-93-1) → 4,6-bis(4-fluorophenyl)pyrimidine (168915-00-2)

Guidance literature:

With C₃₅H₅₀I₂N₂O₂PPd; caesium carbonate; In 1,4-dioxane; at 110 ℃; for 12h; Inert atmosphere;

DOI:10.5012/bkcs.2012.33.10.3430

Reference yield: 82.0%

4-fluoroboronic acid (1765-93-1) + 4,6-diiodopyrimidine (19646-06-1) → 4,6-bis(4-fluorophenyl)pyrimidine (168915-00-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In methanol; toluene; for 6h; Heating;

DOI:10.1021/jm060315a

Reference yield: 63.0%

4,6-dichloropyrimidine (1193-21-1) + 1-Bromo-4-fluorobenzene (460-00-4) → 4,6-bis(4-fluorophenyl)pyrimidine (168915-00-2)

Guidance literature:

1-Bromo-4-fluorobenzene; With magnesium; In tetrahydrofuran; Heating;

4,6-dichloropyrimidine; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); In tetrahydrofuran; for 10h; Heating;

DOI:10.1016/S0022-1139(02)00279-8

upstream raw materials:

4,6-dichloropyrimidine

4-fluoroboronic acid

1-Bromo-4-fluorobenzene

4,6-diiodopyrimidine

Downstream raw materials:

4,6-bis(4-tert-butylmercaptophenyl)pyrimidine