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

Base Information

• Chemical Name: 2-Chloro-4,6-diphenyl-1,3,5-triazine
• CAS No.: 3842-55-5
• Molecular Formula: C15H10ClN3
• Molecular Weight: 267.717
• Hs Code.: 2933699090
• European Community (EC) Number: 805-579-0
• NSC Number: 231670
• DSSTox Substance ID: DTXSID00274643
• Nikkaji Number: J1.553.682I
• Wikidata: Q72449750
• Mol file: 3842-55-5.mol

Synonyms:2-Chloro-4,6-diphenyl-1,3,5-triazine;3842-55-5;1,3,5-Triazine, 2-chloro-4,6-diphenyl-;Diphenyl chloro-s-triazine;4,6-diphenyl-2-chloro-s-triazine;MFCD05738885;NSC231670;Appolo-115;SCHEMBL106948;Anilinoacetaldehydediethylacetal;2-chloro4,6-diphenyl-s-triazine;DTXSID00274643;Clc1nc(nc(n1)c2ccccc2)c3ccccc3;AKOS005145539;S-Triazine, 2-chloro-4,6-diphenyl-;CS-W010111;DS-1844;NSC 231670;NSC-231670;OL10236;1,5-Triazine, 2-chloro-4,6-diphenyl-;2,6-Diphenyl-4-chloro-1,3,5-triazine;AM808277;SY034708;1,3,5-riazine, 2-hloro-4,6-iphenyl-;2-chloro-4,6-bisphenyl-1,3,5-triazine;2-chloro-4,6-diphenyl-[1,3,5]triazine;2-CHLORO-4,6-DIPHENYL-S-TRIAZINE;2-chloranyl-4,6-diphenyl-1,3,5-triazine;2-chloro-[4,6-bisphenyl]-1,3,5-triazine;2-Chloro-4,6-diphenyl-1,3,5-triazine #;C2703;FT-0698355;A824145;J-508718

Chemical Property of 2-Chloro-4,6-diphenyl-1,3,5-triazine

Chemical Property:

• Vapor Pressure: 4.3E-09mmHg at 25°C
• Melting Point: 138-140℃
• Refractive Index: 1.622
• Boiling Point: 485.1 °C at 760 mmHg
• PKA: -0.19±0.10(Predicted)
• Flash Point: 279.2 °C
• PSA: 38.67000
• Density: 1.265 g/cm³
• LogP: 3.85900
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Soluble in toluene.
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 267.0563250
• Heavy Atom Count: 19
• Complexity: 249

Purity/Quality:

99.3% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=CC=C3
• Uses: 2-chloro-4,6-diphenyl-1,3,5-triazine is a useful research chemical. A rational synthesis of kyaphenine (2:4:6-triphenyl-1:3:5-triazine) has been effected by reaction of 2-chloro-4:6-diphenyl-1:3:5-triazine with phenylmagnesium bromide. 2-chloro-4,6-diphenyl-1,3,5-triazine is an organic compound. Its main uses are: 1 It is used to prepare benzimidazole compounds and derivatives and organic electron transport materials. Organic light emitting diodes (OLEDs) have important applications in new electroluminescent displays and lighting. 2. It is used to prepare organic small molecule electron transport materials.

Technology Process of 2-Chloro-4,6-diphenyl-1,3,5-triazine

There total 28 articles about 2-Chloro-4,6-diphenyl-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: 94.1%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + phenylboronic acid (98-80-6) → 2-chloro-4,6-diphenyl-1,3,5-triazine (3842-55-5)

Guidance literature:

With bis(tricyclohexylphosphine)nickel(II) dichloride; potassium carbonate; In tetrahydrofuran; at 70 ℃; for 12h; Reagent/catalyst; Solvent; Temperature; Green chemistry;

Reference yield: 92.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-chloro-4,6-diphenyl-1,3,5-triazine (3842-55-5)

Guidance literature:

With aluminum (III) chloride; In 5,5-dimethyl-1,3-cyclohexadiene; at 70 ℃; for 4h; Time; Temperature;

Reference yield: 89.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + phenylmagnesium bromide (100-58-3) → 2-chloro-4,6-diphenyl-1,3,5-triazine (3842-55-5)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.dyepig.2018.05.022

upstream raw materials:

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

5-nitroso-2,4-diphenyl-imidazole

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

N-phenyl benzoyl amide

Downstream raw materials:

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

2,4-di-phenyl-6-(2`,4`-dihydroxyphenyl)-1,3,5-triazine

C₄₈H₃₀N₈

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-11,12-dihydroindolo[2,3-a]carbazole

Refernces

• 1、 Molkenthin, Martin,Nachtsheim, Boris J.,Nau, Werner M.. "Efficient Hydro- and Organogelation by Minimalistic Diketopiperazines Containing a Highly Insoluble Aggregation-Induced, Blue-Shifted Emission Luminophore**". supporting information. p. 16488 - 16497. Retrieved 2021/10/25.
• 2、 Vuorinen, Aini,Wilkinson, Isabel V.L.,Chatzopoulou, Maria,Edwards, Ben,Squire, Sarah E.,Fairclough, Rebecca J.,Bazan, Noelia Araujo,Milner, Josh A.,Conole, Daniel,Donald, James R.,Shah, Nandini,Willis, Nicky J.,Martínez, R. Fernando,Wilson, Francis X.,Wynne, Graham M.,Davies, Stephen G.,Davies, Kay E.,Russell, Angela J.. "Discovery and mechanism of action studies of 4,6-diphenylpyrimidine-2-carbohydrazides as utrophin modulators for the treatment of Duchenne muscular dystrophy". supporting information. . Retrieved 2021/05/03.