4-(4-Bromophenyl)-2,6-diphenylpyrimidine

Base Information

• Chemical Name: 4-(4-Bromophenyl)-2,6-diphenylpyrimidine
• CAS No.: 58536-46-2
• Molecular Formula: C22H15BrN2
• Molecular Weight: 387.278
• European Community (EC) Number: 811-790-9
• Mol file: 58536-46-2.mol

Synonyms:4-(4-bromophenyl)-2,6-diphenylpyrimidine;58536-46-2;4-(4-bromo-phenyl)-2,6-diphenyl-pyrimidine;Pyrimidine, 4-(4-bromophenyl)-2,6-diphenyl-;SCHEMBL970118;AMY37836;MFCD00474667;STK844335;AKOS001586397;SB57885;DS-19603;B4933;CS-0060515;FT-0764125;Pyrimidine, 4-(4-romophenyl)-2,6-iphenyl-;W16757;A853127;AH-034/32857054;SR-01000390194;(R)-6-fluoro-2-methyl-1,2,3,4-tetrahydroquioline;SR-01000390194-1

Chemical Property of 4-(4-Bromophenyl)-2,6-diphenylpyrimidine

Chemical Property:

• Melting Point: 166℃
• PSA: 25.78000
• Density: 1.345
• LogP: 6.24010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 386.04186
• Heavy Atom Count: 25
• Complexity: 395

Purity/Quality:

98%, ^*data from raw suppliers

4-(4-Bromophenyl)-2,6-diphenylpyrimidine >98.0%(HPLC)(N) ^*data from reagent 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)C4=CC=C(C=C4)Br

Technology Process of 4-(4-Bromophenyl)-2,6-diphenylpyrimidine

There total 20 articles about 4-(4-Bromophenyl)-2,6-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: 95.0%

para-bromoacetophenone (99-90-1) + benzonitrile (100-47-0) → 4-(4-bromophenyl)-2,6-diphenylpyrimidine (58536-46-2)

Guidance literature:

para-bromoacetophenone; benzonitrile; With antimonypentachloride; In dichloromethane; at 0 ℃; Reflux;

With ammonium hydroxide; In water; at 0 - 20 ℃; for 3.5h;

Reference yield: 93.0%

3-(4-bromophenyl)-1-phenylprop-2-en-1-one (1774-66-9) + benzamidine monohydrochloride (1670-14-0) → 4-(4-bromophenyl)-2,6-diphenylpyrimidine (58536-46-2)

Guidance literature:

With cholin hydroxide; In cyclohexanol; at 60 ℃; for 0.416667h; Green chemistry;

DOI:10.1039/c4nj02345e

Reference yield: 91.0%

1-(4-bromophenyl)-3-phenyl-2-propen-1-one (2403-27-2) + N-hydroxybenzenecarboximidamide (613-92-3) → 4-(4-bromophenyl)-2,6-diphenylpyrimidine (58536-46-2)

Guidance literature:

With 1,10-Phenanthroline; iron(III) chloride hexahydrate; potassium carbonate; In toluene; at 120 ℃; for 10h;

DOI:10.1016/j.tetlet.2019.03.025

upstream raw materials:

3-(4-bromophenyl)-1-phenylprop-2-en-1-one

benzamidine monohydrochloride

acetophenone

4-bromo-benzaldehyde

Downstream raw materials:

C₅₂H₃₄N₄

C₅₅H₃₉N₃

4-(2,6-diphenylpyrimidin-4-yl)aniline

2-phenyl-4-[4-(4-(N,N-diphenyl)aminophenyl)phenyl]-6-phenylpyrimidine