3-(4-(Oxiranylmethoxy)phenyl)-6-phenyl-1,2,4-triazine

Base Information

• Chemical Name: 3-(4-(Oxiranylmethoxy)phenyl)-6-phenyl-1,2,4-triazine
• CAS No.: 160455-76-5
• Molecular Formula: C₁₈H₁₅N₃O₂
• Molecular Weight: 305.336
• DSSTox Substance ID: DTXSID50936300
• Nikkaji Number: J543.907H
• Mol file: 160455-76-5.mol

Synonyms:3-(4-Glycidyloxyphenyl)-6-phenyl-1,2,4-triazone;3-(4-(Oxiranylmethoxy)phenyl)-6-phenyl-1,2,4-triazine;1,2,4-Triazine, 3-(4-(oxiranylmethoxy)phenyl)-6-phenyl-;160455-76-5;DTXSID50936300;LS-155477;6-Phenyl-3-[4-(glycidyloxy)phenyl]-1,2,4-triazine;3-{4-[(Oxiran-2-yl)methoxy]phenyl}-6-phenyl-1,2,4-triazine

Chemical Property of 3-(4-(Oxiranylmethoxy)phenyl)-6-phenyl-1,2,4-triazine

Chemical Property:

• Vapor Pressure: 1.95E-11mmHg at 25°C
• Boiling Point: 546.4°C at 760 mmHg
• Flash Point: 191.8°C
• Density: 1.251g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 305.116426730
• Heavy Atom Count: 23
• Complexity: 367

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(O1)COC2=CC=C(C=C2)C3=NC=C(N=N3)C4=CC=CC=C4

Technology Process of 3-(4-(Oxiranylmethoxy)phenyl)-6-phenyl-1,2,4-triazine

There total 2 articles about 3-(4-(Oxiranylmethoxy)phenyl)-6-phenyl-1,2,4-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: 94.0%

3-<4-(2-hydroxy-3-chloropropyl)oxyphenyl>-6-phenyl-1,2,4-triazine → 3-(4-glycidyloxyphenyl)-6-phenyl-1,2,4-triazine (160455-76-5)

Guidance literature:

With sodium hydroxide; tetraethylammonium chloride; epichlorohydrin; at 50 - 80 ℃; for 1.25h;

DOI:10.1007/BF00772856

Reference yield:

4-(6-Phenyl-[1,2,4]triazin-3-yl)-phenol → 3-(4-glycidyloxyphenyl)-6-phenyl-1,2,4-triazine (160455-76-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 57 percent / 25percent aq. NaOH, tetraethylammonium chloride / 5 h / 80 - 85 °C

2: 94 percent / NaOH, tetraethylammonium chloride, epichlorohydrin / 1.25 h / 50 - 80 °C

With sodium hydroxide; tetraethylammonium chloride; epichlorohydrin;

DOI:10.1007/BF00772856

Refernces