1,3,5-Triazine

Base Information

• Chemical Name: 1,3,5-Triazine
• CAS No.: 290-87-9
• Molecular Formula: C3H3N3
• Molecular Weight: 81.0769
• Hs Code.: 29339900
• European Community (EC) Number: 206-028-1
• NSC Number: 56189
• UNII: 8B5F4CM81E
• DSSTox Substance ID: DTXSID7052785
• Nikkaji Number: J102.028E
• Wikipedia: 1,3,5-Triazine
• Wikidata: Q751744
• Metabolomics Workbench ID: 54150
• ChEMBL ID: CHEMBL15698
• Mol file: 290-87-9.mol

Synonyms:1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride;1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride (1:1);2-(3,4-dihydroxyphenyl) chromenylium-3,5,7-triol;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride;3,3',4',5,7-pentahydroxy-2-phenylbenzopyrylium chloride;3,5,7,3',4'-pentahydroxyflavylium;cyanidin;cyanidin cation;cyanidin chloride;cyanidin ion;cyanidine;cyanidol;cyanidol chloride;flavylium, 3,3',4',5,7-pentahydroxy-;flavylium, 3,3',4',5,7-pentahydroxy-, chloride;IdB 1027;IdB-1027

Chemical Property of 1,3,5-Triazine

Chemical Property:

• Appearance/Colour: White crystalline solid
• Vapor Pressure: 0.00341mmHg at 25°C
• Melting Point: 77-83 °C (dec.)(lit.)
• Refractive Index: 1.52
• Boiling Point: 114 °C at 760 mmHg
• PKA: 2.07±0.10(Predicted)
• Flash Point: 31.122 °C
• PSA: 38.67000
• Density: 1.173 g/cm³
• LogP: -0.12840
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Solubility.: methanol: 0.1 g/mL, clear
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 81.032697108
• Heavy Atom Count: 6
• Complexity: 21.5

Purity/Quality:

99% ^*data from raw suppliers

s-Triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; C
• Hazard Codes: Xn,C
• Statements: 22-37/38-41-34
• Safety Statements: 22-24/25-39-26-45-36/37/39-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=NC=NC=N1
• Uses: 1,3,5-Triazine is a reagent in oxidation reactions, in synthesis of heterocycles. Triazine derivatives are used as herbicides, pharmaceuticals, complexation agents, peptidomimetic building blocks, and dyes.

Technology Process of 1,3,5-Triazine

There total 25 articles about 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:

reactive red 198 → 1,3,5-Triazine (290-87-9) + 2-amino-1,3,5-triazine (4122-04-7) + 6-chloro-N-phenyl-1,3,5-triazine-2,4-diamine (16007-72-0) + ethyl phenyl sulfone (599-70-2) + 2-(phenylsulfonyl)ethanesulfonate

Guidance literature:

With bacterial-yeast consortium; for 40h; pH=7; Microbiological reaction;

DOI:10.1039/c4ra15834b

Reference yield:

hydrogen cyanide (74-90-8) → 1,3,5-Triazine (290-87-9)

Guidance literature:

With tetrahydrofuran; hydrogenchloride;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + methylamine (74-89-5) → 1,3,5-Triazine (290-87-9)

Guidance literature:

In water; for 2h;

upstream raw materials:

tributyl-amine

formamidine hydrochloride

hydrogen cyanide

chloromethylene-formamidine

Downstream raw materials:

Piperidinomethylen-malonsaeure-dinitril

2-Methyl-5-oxo-4-phenyl-5,6-dihydro-[1,6]naphthyridine-3-carboxylic acid ethyl ester

hydrogen cyanide

N-cyanomethanimine

Refernces

Studies on naphthyridines. Part 2 [1]. Synthesis of 4-substituted and 6-substituted 1,6-naphthyridin-5(6H)-ones

10.1002/jhet.5570260644

The research focuses on the synthesis of 4-substituted and 6-substituted 1,6-naphthyridin-5(6H)-ones, which are of interest due to their potential biological properties such as anti-inflammatory, anticonvulsant, insecticidal, antibacterial, antifungal, and calcium antagonistic activities. The study presents a one-step synthesis method for ethyl 4-substituted 2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylates from diethyl 2,6-dimethylpyridine-3,5-dicarboxylates using aminomethinylation with 1,3,5-triazine. Additionally, a two-step procedure was developed for the preparation of 6-substituted derivatives. Key chemicals used in the process include diethyl 2,6-dimethylpyridine-3,5-dicarboxylates, 1,3,5-triazine, ethanolic sodium ethoxide, and various amines or hydrazines. The synthesized compounds were characterized by UV, IR, and 'H NMR spectroscopy, and the structure of one of the compounds was confirmed by X-ray analysis. The study concludes with detailed experimental procedures, analytical data, and spectroscopic information for the synthesized compounds.