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

Base Information

• Chemical Name: 2-(4-Methoxyphenyl)-4,6-diphenyl-1,3,5-triazine
• CAS No.: 23449-07-2
• Molecular Formula: C22H17N3O
• Molecular Weight: 339.396
• DSSTox Substance ID: DTXSID90354908
• Nikkaji Number: J1.343.811K
• Wikidata: Q82133398
• Mol file: 23449-07-2.mol

Synonyms:2-(4-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine;23449-07-2;ST50216378;Oprea1_036547;Oprea1_501438;SCHEMBL7646098;DTXSID90354908;STK522190;AKOS000567177;SB73624

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

Chemical Property:

• Melting Point: 157.5-158.5 °C
• Boiling Point: 568.8±52.0 °C(Predicted)
• PKA: 1.17±0.10(Predicted)
• PSA: 47.90000
• Density: 1.174±0.06 g/cm3(Predicted)
• LogP: 4.88120
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 339.137162174
• Heavy Atom Count: 26
• Complexity: 386

Purity/Quality:

95%, 99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

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

There total 23 articles about 2-(4-Methoxyphenyl)-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: 98.0%

4,6-diphenyl-1,2,3,5-tetrazine + 4-methoxybenzamidine (22265-37-8) → 2-(4-methoxy-phenyl)-4,6-diphenyl-[1,3,5]triazine (23449-07-2)

Guidance literature:

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

DOI:10.1021/jacs.9b07744

Reference yield: 96.0%

benzamidine monohydrochloride (1670-14-0) + 1-(4-methoxyphenyl)ethanone (100-06-1) → 2-(4-methoxy-phenyl)-4,6-diphenyl-[1,3,5]triazine (23449-07-2)

Guidance literature:

With iodine; caesium carbonate; In dimethyl sulfoxide; at 20 - 110 ℃; for 16.0833h; regioselective reaction;

DOI:10.1021/acs.joc.7b02313

Reference yield: 96.0%

benzamidine monohydrochloride (1670-14-0) + 4-methoxy-benzylamine (2393-23-9) → 2-(4-methoxy-phenyl)-4,6-diphenyl-[1,3,5]triazine (23449-07-2)

Guidance literature:

With oxygen; caesium carbonate; at 130 ℃; for 3h; Green chemistry;

DOI:10.1039/c5gc01884f

upstream raw materials:

4-methoxy-benzaldehyde

2-chloro-4,6-diphenyl-1,3,5-triazine

4-methoxyphenyl magnesium bromide

benzamidine monohydrochloride

Downstream raw materials:

4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenol