3,6-Diphenyl-1,2,4-triazine-5-carbonitrile

Base Information

• Chemical Name: 3,6-Diphenyl-1,2,4-triazine-5-carbonitrile
• CAS No.: 116178-05-3
• Molecular Formula: C16H10N4
• Molecular Weight: 258.282
• Mol file: 116178-05-3.mol

Synonyms:.5-cyano-3,6-diphenyl-1,2,4-triazine;3,6-diphenyl-as-triazine-5-carbonitrile;

Chemical Property of 3,6-Diphenyl-1,2,4-triazine-5-carbonitrile

Chemical Property:

• PSA: 62.46000
• LogP: 3.07728

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,6-Diphenyl-1,2,4-triazine-5-carbonitrile

There total 3 articles about 3,6-Diphenyl-1,2,4-triazine-5-carbonitrile 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%

2-hydroxy-2-methylpropanenitrile (75-86-5) + 3,6-diphenyl-1,2,4-triazine 4-oxide (33859-69-7) → 3,6-diphenyl-1,2,4-triazine-5-carbonitrile (116178-05-3)

Guidance literature:

With triethylamine; In dichloromethane; for 0.333333h; Heating;

DOI:10.1023/A:1019631610505

Reference yield: 70.0%

5-chloro-3,6-diphenyl-as-triazine (94398-27-3) + sodium cyanide (143-33-9,25596-52-5) → 3,6-diphenyl-1,2,4-triazine-5-carbonitrile (116178-05-3)

Guidance literature:

In N,N-dimethyl-formamide; for 1h;

Reference yield:

5-oxo-3,6-diphenyl-2,5-dihydro-as-triazine (36214-25-2) → 3,6-diphenyl-1,2,4-triazine-5-carbonitrile (116178-05-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / SOCl₂ / 1.5 h / Heating

2: 70 percent / dimethylformamide / 1 h

With thionyl chloride; In N,N-dimethyl-formamide;

upstream raw materials:

5-chloro-3,6-diphenyl-as-triazine

sodium cyanide

2-hydroxy-2-methylpropanenitrile

3,6-diphenyl-1,2,4-triazine 4-oxide

Downstream raw materials:

2-(3,6-Diphenyl-[1,2,4]triazin-5-yl)-malonic acid diethyl ester

1,4-diphenylisoquinoline-3-carbonitrile

3,6-diphenyl-[1,2,4]triazine