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2,4,6-tri-p-tolyl-1,3,5-triazine is an organic compound that serves as an intermediate in the synthesis of various chemical compounds. It is characterized by its triazine core with three p-tolyl groups attached, which contributes to its unique chemical properties and potential applications.

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  • 6726-45-0 Structure
  • Basic information

    1. Product Name: 2,4,6-trip-tolyl-1,3,5-triazine
    2. Synonyms: 2,4,6-trip-tolyl-1,3,5-triazine;2,4,6-tris(4-methylphenyl)-1,3,5-triazine
    3. CAS NO:6726-45-0
    4. Molecular Formula: C24H21N3
    5. Molecular Weight: 351.44364
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 6726-45-0.mol
  • Chemical Properties

    1. Melting Point: 275-276 °C
    2. Boiling Point: 561.5°Cat760mmHg
    3. Flash Point: 246.9°C
    4. Appearance: /
    5. Density: 1.12g/cm3
    6. Vapor Pressure: 4.66E-12mmHg at 25°C
    7. Refractive Index: 1.609
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 1.51±0.10(Predicted)
    11. CAS DataBase Reference: 2,4,6-trip-tolyl-1,3,5-triazine(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2,4,6-trip-tolyl-1,3,5-triazine(6726-45-0)
    13. EPA Substance Registry System: 2,4,6-trip-tolyl-1,3,5-triazine(6726-45-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 6726-45-0(Hazardous Substances Data)

6726-45-0 Usage

Uses

Used in Chemical Synthesis:
2,4,6-tri-p-tolyl-1,3,5-triazine is used as an intermediate in the synthesis of p-Cyanobenzoic Acid Trimer (C955200). This trimer is a key component in the preparation of Terbium Triazinetribenzoate Formate Metal Organic Framework (MOF), a material with potential applications in various fields, such as gas storage, catalysis, and drug delivery.
Used in the Preparation of Metal Organic Frameworks (MOFs):
In the field of materials science, 2,4,6-tri-p-tolyl-1,3,5-triazine plays a crucial role in the synthesis of Terbium Triazinetribenzoate Formate MOF. This MOF is a porous material with potential applications in gas storage, separation, and catalysis due to its high surface area, tunable pore size, and chemical functionality.

Check Digit Verification of cas no

The CAS Registry Mumber 6726-45-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,7,2 and 6 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 6726-45:
(6*6)+(5*7)+(4*2)+(3*6)+(2*4)+(1*5)=110
110 % 10 = 0
So 6726-45-0 is a valid CAS Registry Number.
InChI:InChI=1/C24H21N3/c1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21/h4-15H,1-3H3

6726-45-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4,6-tris(4-methylphenyl)-1,3,5-triazine

1.2 Other means of identification

Product number -
Other names 4,4',4''-s-triazine-2,4,6-tri-p-tolyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6726-45-0 SDS

6726-45-0Relevant articles and documents

Crystal structure and guest uptake of a mesoporous metal-organic framework containing cages of 3.9 and 4.7 nm in diameter

Park, Young Kwan,Sang, Beom Choi,Kim, Hyunuk,Kim, Kimoon,Won, Byoung-Ho,Choi, Kihang,Choi, Jung-Sik,Ahn, Wha-Seung,Won, Nayoun,Kim, Sungjee,Dong, Hyun Jung,Choi, Seung-Hoon,Kim, Ghyung-Hwa,Cha, Sun-Shin,Young, Ho Jhon,Jin, Kuk Yang,Kim, Jaheon

, p. 8230 - 8233 (2007)

(Figure Presented) Supersized pores: A new mesoporous metal-organic framework that is mainly composed of Tb3+ ions and tripodal carboxylate ligands has cages of 3.9 and 4.7 nm in diameter (see picture). The evacuated framework is robust and can

Preparation method of multipurpose compound s-triazine derivative

-

Paragraph 0051-0058, (2021/06/26)

The invention provides a preparation method of a s-triazine derivative, which is characterized in that an aryl nitrile compound is used as a substrate, lithium bis (trifluoromethanesulfonimide) is used as a catalyst, and the s-triazine derivative is obtained through a cyclopolymerization reaction. Compared with the prior art, the method has the advantages that a catalytic system is simple and easy to obtain, too high or too low rigorous reaction temperature is not needed, the reaction condition is mild, the reaction time is short, the post-treatment is simple, and the obtained s-triazine derivative has very high yield and is suitable for large-scale production.

Efficient synthesis of vinylene-linked conjugated porous networksviathe Horner-Wadsworth-Emmons reaction for photocatalytic hydrogen evolution

Chen, Yong,He, Yanyan,Liu, Fulai,Liu, Honglai,Ma, Wangping,Yang, Na,Zhu, Xiang

supporting information, p. 7557 - 7560 (2021/08/05)

A simple, yet efficient synthetic approach for the construction of vinylene-linked conjugated porous networks was developed. Based on the Horner-Wadsworth-Emmons reaction, the condensation polymerization for the formation of an sp2carbon-linkag

Perovskite Quantum Dots Encapsulated in a Mesoporous Metal-Organic Framework as Synergistic Photocathode Materials

Chen, Xiao,Guan, Dehui,Qiao, Guan-Yu,Qin, Jun-Sheng,Rao, Heng,Wang, Jia-Ao,Xu, Ji-Jing,Yu, Jihong,Yuan, Shuai

supporting information, p. 14253 - 14260 (2021/09/13)

Metal halide perovskite quantum dots, with high light-absorption coefficients and tunable electronic properties, have been widely studied as optoelectronic materials, but their applications in photocatalysis are hindered by their insufficient stability because of the oxidation and agglomeration under light, heat, and atmospheric conditions. To address this challenge, herein, we encapsulated CsPbBr3 nanocrystals into a stable iron-based metal-organic framework (MOF) with mesoporous cages (~5.5 and 4.2 nm) via a sequential deposition route to obtain a perovskite-MOF composite material, CsPbBr3@PCN-333(Fe), in which CsPbBr3 nanocrystals were stabilized from aggregation or leaching by the confinement effect of MOF cages. The monodispersed CsPbBr3 nanocrystals (4-5 nm) within the MOF lattice were directly observed by transmission electron microscopy and corresponding mapping analysis and further confirmed by powder X-ray diffraction, infrared spectroscopy, and N2 adsorption characterizations. Density functional theory calculations further suggested a significant interfacial charge transfer from CsPbBr3 quantum dots to PCN-333(Fe), which is ideal for photocatalysis. The CsPbBr3@PCN-333(Fe) composite exhibited excellent and stable oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) catalytic activities in aprotic systems. Furthermore, CsPbBr3@PCN-333(Fe) composite worked as the synergistic photocathode in the photoassisted Li-O2 battery, where CsPbBr3 and PCN-333(Fe) acted as optical antennas and ORR/OER catalytic sites, respectively. The CsPbBr3@PCN-333(Fe) photocathode showed lower overpotential and better cycling stability compared to CsPbBr3 nanocrystals or PCN-333(Fe), highlighting the synergy between CsPbBr3 and PCN-333(Fe) in the composite.

Synthesis method of cyanoacrylate compound

-

Paragraph 0027, (2021/09/21)

The method comprises the following reaction steps: a compound (1) reacts with a compound (2) to directly prepare a compound (3), and is characterized in that the reaction is carried out in a molten state. Compound (1). Compound (2). Compound (3).

Record Complexity in the Polycatenation of Three Porous Hydrogen-Bonded Organic Frameworks with Stepwise Adsorption Behaviors

Li, Yu-Lin,Alexandrov, Eugeny V.,Yin, Qi,Li, Lan,Fang, Zhi-Bin,Yuan, Wenbing,Proserpio, Davide M.,Liu, Tian-Fu

supporting information, p. 7218 - 7224 (2020/05/18)

Hydrogen-bonded organic frameworks (HOFs) show great potential in many applications, but few structure-property correlations have been explored in this field. In this work, we report that self-assembly of a rigid and planar ligand gives rise to flat hexagonal honeycomb motifs which are extended into undulated two-dimensional (2D) layers and finally generate three polycatenated HOFs with record complexity. This kind of undulation is absent in the 2D layers built from a very similar but nonplanar ligand, indicating that a slight torsion of ligand produces overwhelming structural change. This change delivers materials with unique stepwise adsorption behaviors under a certain pressure originating from the movement between mutually interwoven hexagonal networks. Meanwhile, high chemical stability, phase transformation, and preferential adsorption of aromatic compounds were observed in these HOFs. The results presented in this work would help us to understand the self-assembly behaviors of HOFs and shed light on the rational design of HOF materials for practical applications.

Tuning the Structure and Hydrolysis Stability of Calcium Metal-Organic Frameworks through Integrating Carboxylic/Phosphinic/Phosphonic Groups in Building Blocks

Sun, Jing,Huang, Tao,Yin, Qi,Li, Lan,Liu, Tian-Fu,Huang, Xin-Song,Cao, Rong

, p. 8021 - 8027 (2020/12/02)

Crystal structure and hydrolysis stability are fundamentally important for the application of metal-organic frameworks (MOFs) in biotechnology. Herein, five novel 3-D MOFs, built up from biocompatible calcium ions and ligands containing carboxylic, phosphinic, or phosphonic coordinating groups, have been solvothermally synthesized, and their crystal structures were determined by single-crystal X-ray diffraction. Their hydrolysis stability study demonstrated that the water stability of these Ca-based MOFs can be tuned by integrating carboxylic/phosphinic/phosphonic coordinating groups in building blocks.

Method for synthesizing 2, 4, 6-trisubstituted 1, 3, 5-triazine compound from aromatic aldehyde and ammonium iodide

-

Paragraph 0105-0108, (2020/08/06)

The invention discloses a method for synthesizing a 2, 4, 6-trisubstituted 1, 3, 5-triazine compound from aromatic aldehyde and ammonium iodide, and belongs to the field of organic synthesis. According to the method, aromatic aldehyde and ammonium iodide undergo a one-pot reaction under the catalytic action of a ferric salt, so that the 2, 4, 6-trisubstituted 1, 3, 5-triazine compound is obtained.According to the present invention, the small molecule aryl aldehyde raw material and the iron salt catalyst are used, such that the cost is low, the reaction conditions are mild, the symmetric 2, 4,6-trisubstituted 1, 3, 5-triazine compound can be highly selectively obtained, and the brand-new synthesis idea is provided for the triazine ring construction.

Atom-efficient synthesis of 2,4,6-trisubstituted 1,3,5-triazinesviaFe-catalyzed cyclization of aldehydes with NH4I as the sole nitrogen source

Liu, Qiang,Ren, Shuang,Xiao, Jiang

, p. 22230 - 22233 (2020/07/03)

An atom-efficient, straightforward method for the synthesis of 2,4,6-triaryl-1,3,5-triazinesviairon-catalyzed cyclization of aldehydes with NH4I as the sole nitrogen source is demonstrated. This strategy works smoothly under air atmosphere, and affords symmetrical 2,4,6-trisubstituted and unsymmetrical 1,3,5-triazines with yields from 18% to 72%. Compared to other methods, the present protocol provides a straightforward and atom-efficient approach to 2,4,6-trisubstituted 1,3,5-triazines using an inexpensive, easily available ammonium salt as the sole nitrogen source. Research into the preliminary mechanism indicates thatN-benzylidenebenzimidamides are involved in this cyclization reaction.

Mechanistic insight into the azo radical-promoted dehydrogenation of heteroarene towards N-heterocycles

Bains, Amreen K.,Adhikari, Debashis

, p. 6309 - 6318 (2020/11/03)

Borrowing hydrogenation-promoted annulations are considered to be important reactions to synthesize wide variety of N-heterocycles. In these processes, the dehydrogenation of saturated heteroarenes in the late stage is generally required to furnish the desired N-heterocycle. However, in a one-pot, multistep heterocycle synthesis, this step is not well elucidated, and the role of the catalyst is not thoroughly understood. Furthermore, the use of copious amount of base at elevated temperatures further complicates this matter and casts doubt on the involvement of the catalyst in heteroarene dehydrogenation. Herein, we report a molecularly defined nickel catalyst, which can perform two annulation reactions under mild conditions (80 °C, 8 h), towards the sustainable synthesis of triazine and pyrimidine. Mechanistically, we clearly describe the important role of the catalyst in promoting the dehydrogenation of heteroarenes. The binding of the saturated heterocycle to the metal catalyst undergoes a pre-equilibrium step (K = 238 at 80 °C), which is followed by a crucial hydrogen atom transfer. A series of kinetics experiments including Van't Hoff, Eyring analysis and interception of pyrimidinyl radical disclosed the details of the dehydrogenation process. This ligand-driven, base metal catalytic approach is significantly different from the considerably evaluated metal-ligand cooperative bond activation strategies, which may offer an alternative dehydrogenation pathway that demands less energy. This journal is

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