1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-

Base Information

• Chemical Name: 1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-
• CAS No.: 1668-53-7
• Molecular Formula: C25H23 N3 O2
• Molecular Weight: 397.477
• Hs Code.: 2933699090
• European Community (EC) Number: 622-570-5
• DSSTox Substance ID: DTXSID6061866
• Nikkaji Number: J1.605.349J
• Wikidata: Q81989717
• Mol file: 1668-53-7.mol

Synonyms:1668-53-7;4-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)benzene-1,3-diol;4-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1,3-Benzenediol;1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-;4-[4,6-Bis(2,4-dimethylphenyl)-5H-s-triazin-2-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one;2-(2,4-dihydroxyphenyl)-4,6-bis(2,4-dimethylPhenyl)-1,3,5-triazine;C25H23N3O2;4-[4,6-BIS(2,4-DIMETHYLPHENYL)-1,3,5-TRIAZIN-2-YL]BENZENE-1,3-DIOL;1,3-Benzenediol, 4-(4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-;1,3-Benzenediol,4-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl-;3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1;Appolo-107;SCHEMBL39158;DTXSID6061866;SCHEMBL15271297;AMY11159;MFCD16251125;AKOS015901678;C25-H23-N3-O2;AS-74306;CS-0153333;D4527;FT-0689962;A810782;F9995-4301;2,4-Bis(2,4-dimethylphenyl)-6-(2,4-dihydroxyphenyl)-s-triazine;2,4-dihydroxyphenyl-4,6-bis(2,4-dimethylphenyl]-1,3,5-triazine;2,6-bis-(2,4-dimethylphenyl)-4-(2,4-dihydroxyphenyl)-s-triazine;2-(2,4-dihydroxyphenyl)-4,6-bis-(2,4-dimethylphenyl)-s-triazine;4,6-Bis-(2,4-dimethylphenyl)-2-(2,4-dihydroxyphenyl)-s-triazine;2,4-bis(2',4'-dimethylphenyl)-6-(2',4'-dihydroxyphenyl)-1,3,5-triazine;2,4-Bis(2,4-dimethylphenyl)-6-(2,4-dihydroxyphenyl) -1,3,5-triazine;2,4-di-(2,4-dimethylphenyl)-6(2,4-dihydroxyphenyl)-1,3,5-triazine;2,4-di-(2,4-dimethylphenyl)-6-(2,4-dihydroxyphenyl)-1,3,5-triazine;2-(2,4-dihydroxy phenyl)-4,6-bis-(2,4-dime-thylphenyl)-s-triazine;2-(2,4-dihydroxyphenyl)-4,6-bis-(2,4-dimethylphenyl) 1,3,5-triazine;2-(2,4-dihydroxyphenyl)-4,6-bis-(2,4-dimethylphenyl)-1,3,5-triazine;2-(2,4-dihydroxyphenyl)-4,6bis-(2,4-dimethylphenyl) 1,3,5-triazine;3-Benzenediol,4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1;4-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazine-2-yl]-1,3-benzenediol;4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone;4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Chemical Property of 1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 203.0 to 207.0 °C
• Boiling Point: 659.094°C at 760 mmHg
• PKA: 8.58±0.40(Predicted)
• Flash Point: 352.408°C
• PSA: 79.13000
• Density: 1.216g/cm³
• LogP: 5.51740
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Dimethylformamide
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 397.17902698
• Heavy Atom Count: 30
• Complexity: 527

Purity/Quality:

99% ^*data from raw suppliers

2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4)C)C)C

Technology Process of 1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-

There total 10 articles about 1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]- 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: 93.8%

2-chloro-4,6-bis(2',4'-dimethylphenyl)-1,3,5-triazine (1237-53-2) + recorcinol (108-46-3) → 2-(2,4-dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine (1668-53-7)

Guidance literature:

In 1,2-dichloro-benzene; at 20 - 100 ℃; for 8h; Temperature;

Reference yield: 92.0%

1,3,5-trichloro-2,4,6-triazine (108-77-0) + m-xylene (108-38-3,104809-90-7) + recorcinol (108-46-3) → 2-(2,4-dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine (1668-53-7)

Guidance literature:

1,3,5-trichloro-2,4,6-triazine; m-xylene; With hydrogenchloride; aluminum (III) chloride; In water; chlorobenzene; at 20 ℃; for 1h; Cooling with ice;

recorcinol; In water; chlorobenzene; at 90 ℃; for 2h;

Reference yield: 90.0%

→ 2-(2,4-dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine (1668-53-7)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-benzene; at 50 - 110 ℃; for 3h;

upstream raw materials:

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

1,2-dichloro-benzene

recorcinol

sulfolane

Downstream raw materials:

2,4-bis(2`,4`-dimethylphenyl)-6-[2``-hydroxy-4``-(1-(ethoxycarbonyl)ethoxy)phenyl]-1,3,5-triazine

C₃₂H₃₄N₄O₂

C₆₅H₆₈N₈O₄

C₆₅H₆₈N₈O₄

Refernces

• 1、 -. "Method for preparing 2-(2,4-dihydroxyphenyl)-4,6-bisaryl-1,3,5-triazine". Paragraph 0058-0063. . Retrieved 2019/11/21.
• 2、 -. "Method of recycling catalyst used in Friedel-Crafts process for producing aryl-s-triazine ultraviolet absorber". Paragraph 0034; 0035; 0036; 0037; 0038; 0039; 0051; 0052. . Retrieved 2018/04/03.