307929-32-4

Usage

Uses

Used in Agricultural Industry:
2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine is used as an herbicide for controlling the growth of weeds in crops. It functions by inhibiting photosynthesis in the targeted plants, which results in their eventual death, thus protecting the crops from competition and damage.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine is considered a promising compound with potential applications as an antitumor agent. Studies suggest that it may be effective in the treatment of various diseases, highlighting its versatility and importance in pharmaceutical research and development.
Safety Note:
It is crucial to handle 2-(3-Chlorophenyl)-4,6-diphenyl-1,3,5-triazine with care due to its potential harmful effects if ingested, inhaled, or comes into contact with the skin or eyes. Proper safety measures should be taken during its use to minimize risks.

Upstream product

• 80984-79-8 2-bromo-4,6-diphenyl-1,3,5-triazabenzene 
• 63503-60-6 3-chlorophenylboronic acid 
• 1670-14-0 benzamidine monohydrochloride 
• 620-20-2 1-Chloro-3-chloromethyl-benzene 
• 873-63-2 m-chlorobenzyl alcohol 
• 618-39-3 benzamidin 
• 587-04-2 m-Chlorobenzaldehyde 
• 1878-65-5 3-chlorophenylacetic acid 
• 99-02-5 3'-Chloroacetophenone 
• 108-86-1 bromobenzene 
• 3842-55-5 2-chloro-4,6-diphenyl-1,3,5-triazine 
• 4152-90-3 m-chlorobenzylamine 
• 937-14-4 3-chloro-benzenecarboperoxoic acid 
• 110863-22-4 3,5-diphenyl-1,2,4,6-thiatriazine 1-oxide 

Relevant academic research and scientific papers

Triazine electron transport material as well as preparation method and application thereof

The invention discloses a triazine electron transport material as well as a preparation method and application thereof, and relates to the technical field of organic photoelectric materials. The structural formula of the triazine electron transport material is shown in the specification, the electron transport material has high electron injection and movement rates, and when an electron transport layer prepared from the compound is used in an organic electroluminescent device, the electron transport efficiency from the electron transport layer to a luminescent layer is improved, so that the luminous efficiency is improved; and the organic electroluminescent device also has the advantages of low driving voltage, good durability and the like.

Organic compound and organic electroluminescent device containing same

The invention relates to an organic compound, which is characterized by having a structure as shown in (1), wherein L1 and L2 are respectively and independently selected from a single bond, a substituted or unsubstituted C6-C30 arylene group or a substituted or unsubstituted C3-C30 heteroarylene group; Arl and Ar2 are respectively and independently selected from a substituted or unsubstituted C6-C30 aryl group or a substituted or unsubstituted C3-C30 heteroaryl group; R is halogen, a cyano group, an alkyl group, a substituted or unsubstituted C6-C30 aryl group or a substituted or unsubstituted C3-C30 heteroaryl group; and n represents an integer of 0-3.

An alternatively metal-free synthesis of 1,3,5-triazines or 1,2,4-thiadiazoles from benzyl chlorides and benzylamines mediated by elemental sulfur

An elemental sulfur mediated reaction of benzyl chlorides with benzylamines is developed, which allows the practical synthesis of valuable 1,3,5-triazines. This protocol that is metal free, ligand free, and uses inexpensive elemental sulfur as oxidant or raw material displays mild reaction conditions, a broad substrate scope and moderate to good yields. Moreover, the modified sulfur-mediated reaction system can also be used to synthesize 1,2,4-thiadiazoles, by simply switching the stoichiometry of sulfur powder from 0.75 equivalents to 5 equivalents.

Base-free synthesis of 1,3,5-triazines via aerobic oxidation of alcohols and benzamidine over a recyclable OMS-2 catalyst

By using 4Na2SO4·2H2O2·NaCl as a reductant, manganese oxide octahedral molecular sieve (OMS-2)with enhanced surface area and mixed valence was prepared successfully. OMS-2 showed excellent catalytic ability towards aerobic oxidative synthesis of 1,3,5-triazines from benzyl alcohols and benzamidine. Methyl benzenes, DMF and DMSO could also be employed as substrates to react with benzamidine offering triazines under the heterogeneous conditions. The catalytic system features base-free conditions, broad substrate scope, high chemoselectivity, operational simplicity, catalyst recyclability and utilization of O2 as the green oxidant.

Transition Metal-Free sp3 C–H Functionalization of Arylacetic Acids for the Synthesis of 1,3,5-Triazines

A one-pot simple, efficient and practically viable protocol for the synthesis of substituted 1,3,5-triazines has been reported from arylacetic acids and benzamidine hydrochloride. In addition, we demonstrated first transition metal-free conversion of phenylacetic acid to benzaldehyde which on condensation with two equivalents of benzamidine hydrochloride offered 2,4,6-trisubstituted 1,3,5-triazines. This protocol is environmentally benign and economically viable which makes it feasible for gram scale synthesis.

Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device

A novel organic compound is provided. That is, a novel organic compound that is effective in improving the element characteristics and reliability is provided. An organic compound has a benzonaphthofuran skeleton and a triazine skeleton and is represented by General Formula (G1) below. (In the formula, Ar1, Ar2, and Ar3 separately represent a substituted or unsubstituted phenylene group, and each of m and n is independently 0 or 1. R1 and R2 separately represent hydrogen, an alkyl group having 1 to 6 carbon atoms, a substituted or unsubstituted phenyl group, a substituted or unsubstituted biphenyl group, a substituted or unsubstituted terphenyl group, a substituted or unsubstituted fluorenyl group, a substituted or unsubstituted methylfluorenyl group, a substituted or unsubstituted dimethylfluorenyl group, a substituted or unsubstituted spirofluorenyl group, a substituted or unsubstituted naphthyl group, or a substituted or unsubstituted phenanthrenyl group. B1 to B3 separately represent nitrogen or carbon, and at least one of B1 to B3 represents nitrogen. In addition, A is represented by General Formula (G1-1). Any one of R3 to R12 is bonded to Ar1, and the others separately represent hydrogen, an alkyl group having 1 to 6 carbon atoms, a substituted or unsubstituted phenyl group, a substituted or unsubstituted biphenyl group, a substituted or unsubstituted terphenyl group, a substituted or unsubstituted fluorenyl group, a substituted or unsubstituted methylfluorenyl group, a substituted or unsubstituted dimethylfluorenyl group, a substituted or unsubstituted spirofluorenyl group, a substituted or unsubstituted naphthyl group, or a substituted or unsubstituted phenanthrenyl group. Furthermore, Q represents S or O.)

Organic electroluminescent material and device

The invention provides an organic compound with a specific structure. The organic compound is characterized by being shown as a general formula (I): the formula (I) is shown in the description; in theformula (I), X1 to X8 are respectively independently selected from CR1 or N respectively, wherein at least one is an N atom; L is a single bond and is C5 to C12 substituted or unsubstituted arylene and heteroarylene; R1 is selected from hydrogen, C1 to C10 aryl or cycloalkyl, C6 to C15 aryl or C6 to C19 condensed ring aryl and at least one is azacarbazole; Ar is substituted or unsubstituted N heterophenyl. The invention discloses an inverse intersystem crossing constant and emission delayed fluorescence rule and the designed compound is used for an organic electroluminescent device, can be used for effectively improving the current efficiency and is an organic electroluminescent material with good performance. The invention also provides the organic electroluminescent device adopting thecompound shown as the general formula.

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.

IEDDA Reaction of the Molecular Iodine-Catalyzed Synthesis of 1,3,5-Triazines via Functionalization of the sp3 C-H Bond of Acetophenones with Amidines: An Experimental Investigation and DFT Study

The present work reports an inverse electron demand Diels-Alder (iEDDA)-type reaction to synthesize 1,3,5-trizines from acetophenones and amidines. The use of molecular iodine in a catalytic amount facilitates the functionalization of the sp3 C-H bond of acetophenones. This is a simple and efficient methodology for the synthesis of 1,3,5-triazines in good to excellent yields under transition-metal-free and peroxide-free conditions. The reaction is believed to take place via an in situ iodination-based oxidative elimination of formaldehyde. DFT calculations at the M062X/6-31+G(d,p) level were employed to investigate the reaction mechanism. Reaction barriers for the cycloaddition as well as a formaldehyde expulsion steps were computed, and a multistep mechanism starting with the nucleophilic attack by benzamidine on an in situ generated imine intermediate has been proposed. Both local and global reactivity descriptors were used to study the regioselectivity of the addition steps.

COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE

A compound for an organic optoelectric device represented by Chemical Formula I, an organic optoelectric device including the same, and a display device are disclosed. Details of Chemical Formula I are defined in the specification.