3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine

Base Information

• Chemical Name: 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
• CAS No.: 1046-56-6
• Molecular Formula: C20H14N4
• Molecular Weight: 310.358
• Hs Code.: 29336990
• European Community (EC) Number: 213-878-7
• NSC Number: 242686
• UNII: Z9WP0M1OQU
• DSSTox Substance ID: DTXSID8061428
• Nikkaji Number: J7.227C
• Wikidata: Q81989470
• ChEMBL ID: CHEMBL2094583
• Mol file: 1046-56-6.mol

Synonyms:3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine;PDPT

Chemical Property of 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 1.33E-10mmHg at 25°C
• Melting Point: 191-193 °C(lit.)
• Refractive Index: 1.634
• Boiling Point: 525.35 °C at 760 mmHg
• PKA: -0.06±0.63(Predicted)
• Flash Point: 237.659 °C
• PSA: 51.56000
• Density: 1.202 g/cm³
• LogP: 4.26760
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 310.121846464
• Heavy Atom Count: 24
• Complexity: 376

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=CC=C4
• Uses: 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine was employed as chromogenic-extraction reagent during spectrophotometric determination of iron in acids and acidic solutions. It was also employed as precolumn derivatizing reagent in the HPLC method with UV absorbance detection for the Fe(II) determination.
• Indications: PDT with 20% ALA may be used for the treatment of actinic keratoses. The product is marketed as Levulan Kerastick (DUSA Pharmaceuticals, Valhalla, New York). The ALA is applied diffusely over the field with an applicator; the patient returns 1 to 3 hours later and is exposed to an activating light source. Once exposed to the light, ALA produces singlet oxygen, which damages the cell membrane. Sixty-six percent of patients had total clearing of lesions at 8 weeks using blue light exposure for 15 minutes. Patients experience a burning pain but heal with an excellent cosmetic result. Photosensitivity lasts for 24 hours. An optional regimen is to apply ALA only to visible actinic keratoses; however, this method will not treat subclinical lesions. A variety of lasers and light sources can be used to activate the ALA, including blue light, yellow light, and broadband light; however, many details remain to be worked out, such as the optimal incubation times for the ALA when using each of the various light sources.

Technology Process of 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine

There total 11 articles about 3-(2-Pyridyl)-5,6-diphenyl-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: 90.0%

picolinic acid hydrazide (1452-63-7) + benzil (134-81-6) → 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine (1046-56-6)

Guidance literature:

With ammonium acetate; In acetic acid; at 180 ℃; for 0.0833333h; microwave irradiation;

DOI:10.1016/S0040-4039(02)02845-9

Reference yield: 60.0%

phenylmagnesium bromide + 6-phenyl-3-(2'-pyridyl)-1,2,4-triazine-4-oxide (453556-95-1) → 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine (1046-56-6)

Guidance literature:

phenylmagnesium bromide; 6-phenyl-3-(2'-pyridyl)-1,2,4-triazine-4-oxide; In tetrahydrofuran; at 20 ℃;

With water; Heating;

With acetyl chloride; In chloroform; at 5 ℃;

Reference yield: 56.0%

pyridine-2-carboxamidrazone (1005-02-3) + benzil (134-81-6) → 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine (1046-56-6)

Guidance literature:

In tetrahydrofuran; at 66 ℃; for 16h;

DOI:10.1002/jhet.2374

upstream raw materials:

3-Phenyl-6-pyridin-2-yl-[1,2,4,5]tetrazine

benzamidin

picolinic acid hydrazide

benzil

Downstream raw materials:

2,4,6-triphenyl-1,3,5-triazine

2,4-di-phenyl-6-(pyridin-2-yl)-1,3,5-triazine

ReCl(CO)3(C₈H₄N₄C₁₂H₁₀)

Refernces

• 1、 Pathaw, Larica,Khamrang, Themmila,Kathiravan, Arunkumar,Velusamy, Marappan. "Synthesis, crystal structure, bovine serum albumin binding studies of 1,2,4-triazine based copper(I) complexes". . . Retrieved 2020/02/11.
• 2、 Prokhorov,Kozhevnikov,Rusinov,Chupakhin. "Aromatic nucleophilic substitution in 1,2,4-triazine 4-oxides with Grignard reagents". . p. 1157 - 1161. Retrieved 2007/10/03.