1668-53-7

Basic information

• Product Name: 3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1
• Synonyms: 4-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1,3-Benzenediol;DBDT;4-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)benzene-1,3-diol;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;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-triazin-2-yl]-3-benzenediol;1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-
• CAS NO: 1668-53-7
• Molecular Formula: C₂₅H₂₃N₃O₂
• Molecular Weight: 397.48
• Mol File: 1668-53-7.mol
• Article Data: 19

Chemical Properties

• Melting Point: 203.0 to 207.0 °C
• Boiling Point: 659.094°C at 760 mmHg
• Flash Point: 352.408°C
• Appearance: /
• Density: 1.216g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.637
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Dimethylformamide
• PKA: 8.58±0.40(Predicted)
• CAS DataBase Reference: 3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1(1668-53-7)
• EPA Substance Registry System: 3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1(1668-53-7)

Safety Data

• Hazardous Substances Data: 1668-53-7(Hazardous Substances Data)

Usage

General Description

3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1 is a chemical compound that contains both benzenediol and triazinyl functional groups. The 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1 portion of the compound is a triazine derivative with two 2,4-dimethylphenyl groups attached to the 4 and 6 positions of the triazine ring. The presence of the benzenediol group indicates that it is a diol, or a compound with two hydroxyl (OH) groups attached to benzene rings. This chemical may have applications in fields such as organic synthesis, pharmaceuticals, and materials science, and it could potentially exhibit properties such as antioxidant or UV-absorbing capabilities due to the presence of the benzenediol and triazinyl groups.

InChI:InChI=1/C25H23N3O2/c1-14-5-8-19(16(3)11-14)23-26-24(20-9-6-15(2)12-17(20)4)28-25(27-23)21-10-7-18(29)13-22(21)30/h5-13,29-30H,1-4H3

Upstream product

• 108-77-0 1,3,5-trichloro-2,4,6-triazine 
• 95-50-1 1,2-dichloro-benzene 
• 108-46-3 recorcinol 
• 126-33-0 sulfolane 
• 242143-64-2 4,6-Bis-(2,4-dimethylphenyl)-2-phenoxy-s-triazine 
• 1237-53-2 2-chloro-4,6-bis(2',4'-dimethylphenyl)-1,3,5-triazine 
• 25023-99-8 2,4-bis(2,4-dihydroxyphenyl)-6-(2,4-dimethylphenyl)-s-triazine 
• 108-38-3 m-xylene 

Downstream Products

• 176843-44-0 2-[2,4-Dihydroxy-5-(1-methyl-1-phenylethyl)phenyl]-4,6-bis-(2,4-dimethylphenyl)-s-triazine 
• 176843-54-2 2-(5-Benzoyl-2,4-dihydroxyphenyl)-4,6-bis-(2,4-dimethylphenyl)-s-triazine 
• 176843-49-5 2-(2,4-Dihydroxy-5-propionylphenyl)-4,6-bis-(2,4-dimethylphenyl)-s-triazine 
• 101-05-3 anilazine 
• 131806-94-5 2,4-bis(2,4-dimethylphenyl)-6-[2-hydroxy-4-((1-octyloxy-2,2,6,6-tetramethylpiperidin-4-yloxy)carbonylmethoxy)-phenyl]-s-triazine 
• 131806-95-6 2,4-Bis(2,4-dimethylphenyl)-6-{2-hydroxy-4-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yloxy)carbonylmethoxy]phenyl}-s-triazine 
• 2125-23-7 4-[4,6-di-(2,4-di-hydroxyphenyl)-1,3,5-triazin2-yl]-benzene-1,3-diol 
• 1440-08-0 2-[4,6-bis-(2,4-dimethylphenyl)-[1,3,5]triazin-2-yl]-5-(2-hydroxyethoxy)phenol 
• 137658-79-8 2-[4-[(2-hydroxy-3-(2'-ethyl)hexyloxy)propoxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine 
• 2725-22-6 2-[4,6-(2,4-dimethyl-phenyl)-S-triazin-2-yl]-5-octyloxy-phenol 

Relevant articles and documents

A PROCESS FOR THE PREPARATION OF UV ABSORBERS

The presently claimed invention relates to a novel, highly efficient and general process for the preparation of UV absorbers.

Synthesis, Spectra, and Theoretical Investigations of 1,3,5-Triazines Compounds as Ultraviolet Rays Absorber Based on Time-Dependent Density Functional Calculations and three-Dimensional Quantitative Structure-Property Relationship

A series of 1,3,5-triazines were synthesized and their UV absorption properties were tested. The computational chemistry methods were used to construct quantitative structure-property relationship (QSPR), which was used to computer aided design of new 1,3,5-triazines ultraviolet rays absorber compounds. The experimental UV absorption data are in good agreement with those predicted data using the Time-dependent density functional theory (TD-DFT) [B3LYP/6–311 + G(d,p)]. A suitable forecasting model (R > 0.8, P 0.0001) was revealed. Predictive three-dimensional quantitative structure-property relationship (3D-QSPR) model was established using multifit molecular alignment rule of Sybyl program, which conclusion is consistent with the TD-DFT calculation. The exceptional photostability mechanism of such ultraviolet rays absorber compounds was studied and confirmed as principally banked upon their ability to undergo excited-state deactivation via an ultrafast excited-state proton transfer (ESIPT). The intramolecular hydrogen bond (IMHB) of 1,3,5-triazines compounds is the basis for the excited state proton transfer, which was explored by IR spectroscopy, UV spectra, structural and energetic aspects of different conformers and frontier molecular orbitals analysis.

COUMESTAN-LIKE ANTIOXIDANTS AND UV ABSORBANTS

The present invention relates to derivatives of the 1H-pyrano[4,3-b]benzofuran-1-one structure and their nitrogen analogues which possess powerful antioxidant properties combined with a highly effective UV absorbing functionality in one molecule. These compounds are especially useful in cosmetical and dermatological formulations.