4,6-Diphenylpyrimidine

Base Information

• Chemical Name: 4,6-Diphenylpyrimidine
• CAS No.: 3977-48-8
• Molecular Formula: C16H12N2
• Molecular Weight: 232.285
• DSSTox Substance ID: DTXSID70355817
• Nikkaji Number: J1.634.491E
• Wikidata: Q82134875
• ChEMBL ID: CHEMBL1726023
• Mol file: 3977-48-8.mol

Synonyms:4,6-diphenylpyrimidine;3977-48-8;MFCD00234899;Pyrimidine, 4,6-diphenyl-;HMS2793G05;MLS001180458;SCHEMBL284286;CHEMBL1726023;DTXSID70355817;BWRMZQGIDWILAU-UHFFFAOYSA-N;AKOS037649151;SB60519;BS-16732;SMR000475730;SY257816;CS-0156445;D81079;A935013;AC-907/25005311

Chemical Property of 4,6-Diphenylpyrimidine

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.100048391
• Heavy Atom Count: 18
• Complexity: 218

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,6-Diphenylpyrimidine

There total 18 articles about 4,6-Diphenylpyrimidine 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%

2-(methylsulfanyl)-4,6-diphenylpyrimidine (59807-21-5) → 4,6-diphenylpyrimidine (3977-48-8)

Guidance literature:

With triethylsilane; palladium 10% on activated carbon; In tetrahydrofuran; at 0 - 20 ℃; for 48.5h; chemoselective reaction;

DOI:10.1021/ol2026813

Reference yield: 97.0%

4,6-dichloropyrimidine (1193-21-1) + phenylboronic acid (98-80-6) → 4,6-diphenylpyrimidine (3977-48-8)

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: 88.0%

4,6-dichloropyrimidine (1193-21-1) + phenylmagnesium bromide (100-58-3) → 4,6-diphenylpyrimidine (3977-48-8)

Guidance literature:

With nickel(II) chloride hexahydrate; C₃₂H₃₉N₂OP; In tetrahydrofuran; at 25 ℃; for 20h; Inert atmosphere;

DOI:10.1002/chem.201103050

upstream raw materials:

1,3-diphenylpropanedione

1,3-diphenyl-2-propynone

4,6-Bis(3-bromphenyl)pyrimidin

4,6-dibromopyrimidine

Downstream raw materials:

[Pd((4-phenyl-3-ido)(6-phenyl)pyrimidin)(μ-Cl)]2

Refernces

• 1、 Culham, Stacey,Lanoe, Pierre-Henri,Whittle, Victoria L.,Durrant, Marcus C.,Williams, J. A. Gareth,Kozhevnikov, Valery N.. "Highly luminescent dinuclear platinum(II) complexes incorporating bis-cyclometallating pyrazine-based ligands: A versatile approach to efficient red phosphors". . p. 10992 - 11003. Retrieved 2013.
• 2、 Chakraborty, Gargi,Guin, Amit Kumar,Mondal, Rakesh,Paul, Nanda D.,Sarkar, Susmita. "Iron-Catalyzed Alkyne-Based Multicomponent Synthesis of Pyrimidines under Air". . p. 13186 - 13197. Retrieved 2021/10/01.