6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione

Base Information

• Chemical Name: 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione
• CAS No.: 23891-08-9
• Molecular Formula: C9H7 N3 O2
• Molecular Weight: 189.173
• NSC Number: 76244
• DSSTox Substance ID: DTXSID30291520
• Nikkaji Number: J90.996C
• Wikidata: Q82029494
• Mol file: 23891-08-9.mol

Synonyms:6-phenyl-1,2,4-triazine-3,5(2h,4h)-dione;23891-08-9;5-phenyl-6-azauracil;NSC76244;6-phenyl-1,2,4-triazine-3,5-diol;ChemDiv1_021916;Oprea1_067765;Oprea1_575284;SCHEMBL2899875;HMS649E04;DTXSID30291520;QDVLVVJHFWNNJK-UHFFFAOYSA-N;NSC-76244;STK637480;AKOS002262392;AKOS005568980;6-Phenyl-2H-[1,2,4]triazine-3,5-dione;EU-0072104;6-phenyl-1,2,4-triazine-3,5-(2H,4H)-dione;SR-01000438015;SR-01000438015-1;F0910-2252

Chemical Property of 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.46g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.053826475
• Heavy Atom Count: 14
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NNC(=O)NC2=O

Technology Process of 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione

There total 6 articles about 6-Phenyl-1,2,4-triazine-3,5(2h,4h)-dione 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: 85.0%

benzoylformic acid semicarbazone (38132-38-6) → 5-phenyl-6-azauracil (23891-08-9)

Guidance literature:

With sodium ethanolate; In ethylene glycol; for 15h; Heating;

DOI:10.1016/j.bmcl.2005.06.057

Reference yield: 72.0%

→ 5-phenyl-6-azauracil (23891-08-9)

Guidance literature:

Reference yield:

4-benzylideneamino-6-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione → 5-phenyl-6-azauracil (23891-08-9) + benzonitrile (100-47-0)

Guidance literature:

In acetonitrile; at 172.3 - 222.5 ℃; Kinetics; Pyrolysis;

DOI:10.1016/j.tet.2006.04.054

upstream raw materials:

6-phenyl-1,2,4-triazine-3(2H)-thione-5(4H)-one

chloroacetic acid

benzoylformic acid semicarbazone

acetophenone

Downstream raw materials:

(+/-)-semicarbazido-phenyl-acetic acid

2-(2,6-difluorobenzyl)-6-phenyl-1,2,4-triazine-3,5-(2H)-dione

1-(indan-2-yloxymethyl)-5-phenyl-6-azauracil

1-(2-cyclohexylethoxymethyl)-5-phenyl-6-azauracil