5,6-Diphenyl-1,2,4-triazin-3(2H)-one

Base Information

• Chemical Name: 5,6-Diphenyl-1,2,4-triazin-3(2H)-one
• CAS No.: 4512-00-9
• Deprecated CAS: 34177-12-3
• Molecular Formula: C15H11 N3 O
• Molecular Weight: 249.272
• Hs Code.: 2933699090
• European Community (EC) Number: 224-833-6
• NSC Number: 149640,38614,15449
• DSSTox Substance ID: DTXSID20196393
• Nikkaji Number: J49.154C
• Wikidata: Q83069454
• ChEMBL ID: CHEMBL319305
• Mol file: 4512-00-9.mol

Synonyms:5,6-diphenyl-1,2,4-triazin-3(2H)-one

Chemical Property of 5,6-Diphenyl-1,2,4-triazin-3(2H)-one

Chemical Property:

• Vapor Pressure: 1.07E-09mmHg at 25°C
• Melting Point: 224-225°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 476.4°Cat760mmHg
• Flash Point: 241.9°C
• PSA: 58.90000
• Density: 1.24g/cm³
• LogP: 2.91120
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 249.090211983
• Heavy Atom Count: 19
• Complexity: 402

Purity/Quality:

97% ^*data from raw suppliers

5,6-DIPHENYL-3-HYDROXY-1,2,4-TRIAZINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=O)NN=C2C3=CC=CC=C3

Technology Process of 5,6-Diphenyl-1,2,4-triazin-3(2H)-one

There total 44 articles about 5,6-Diphenyl-1,2,4-triazin-3(2H)-one 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: 91.0%

5,6-diphenyl-4H-[1,2,4] triazine-3-thione (37469-24-2) → 5,6-diphenyl-1,2,4-triazin-3(2H)-one (4512-00-9)

Guidance literature:

With tetrabromoglycoluril; In ethanol; at 40 ℃; for 0.166667h; Reagent/catalyst; Green chemistry;

DOI:10.1134/S1070428019120108

Reference yield: 84.0%

hydrazine carboxamide (4426-72-6,51433-48-8,57-56-7) + benzil (134-81-6) → 5,6-diphenyl-1,2,4-triazin-3(2H)-one (4512-00-9)

Guidance literature:

With acetic acid; Reflux;

Reference yield: 70.0%

3-chloro-5,6-diphenyl-1,2,4-triazine (34177-11-2) → 5,6-diphenyl-1,2,4-triazin-3(2H)-one (4512-00-9)

Guidance literature:

In ethanol; for 48h; Heating;

upstream raw materials:

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

5,6-diphenyl-4H-[1,2,4] triazine-3-thione

3-methoxy-5,6-diphenyl-[1,2,4]triazine

5,6-diphenyl-tetrahydro-[1,2,4]triazin-3-one

Downstream raw materials:

2-methyl-5,6-diphenyl-1,2,4-triazin-3(2H)-one

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

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

4,5-dihydro-5,6-diphenyl-as-triazin-3-one