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2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine is an organic compound with the molecular formula C21H27N7. It features a triazine ring to which three pyrrolidine groups are attached, giving it unique structural and functional characteristics. 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine is known for its potential applications in various fields, including coordination chemistry, catalysis, molecular recognition, and supramolecular assembly construction. Moreover, it has demonstrated promise in biomedical applications such as drug delivery and imaging agents, making it a versatile molecule of interest in both chemical and biological research.

5794-91-2

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5794-91-2 Usage

Uses

Used in Coordination Chemistry:
2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine serves as a ligand in coordination chemistry, where it forms complexes with metal ions. Its ability to chelate metals contributes to the stabilization of these complexes and can influence their properties, such as reactivity, selectivity, and stability.
Used in Catalysis:
In the field of catalysis, 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine acts as a catalyst or a catalyst support. Its presence can enhance the efficiency of chemical reactions by providing a platform for substrate binding and facilitating reaction pathways.
Used in Molecular Recognition:
2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine has been studied for its potential use in molecular recognition. Its unique structure allows it to selectively bind to specific molecules, which is crucial in various analytical and diagnostic applications.
Used in Supramolecular Chemistry:
As a building block for supramolecular assemblies, 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine contributes to the construction of complex, higher-order structures. These assemblies have potential applications in materials science, where they can exhibit novel properties and functions.
Used in Biomedical Applications:
In the biomedical field, 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine has shown promise in drug delivery systems. Its ability to complex with various agents allows for the development of targeted drug delivery platforms, potentially improving therapeutic efficacy and reducing side effects.
Used in Imaging Agents:
Furthermore, 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine has potential applications in the development of imaging agents. Its interaction with metal ions and other molecules can be exploited to enhance the contrast in medical imaging techniques, aiding in the diagnosis and monitoring of diseases.
Overall, 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine is a multifaceted compound with a broad spectrum of potential applications across different industries, highlighting its importance in contemporary chemical and biological research.

Check Digit Verification of cas no

The CAS Registry Mumber 5794-91-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,7,9 and 4 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 5794-91:
(6*5)+(5*7)+(4*9)+(3*4)+(2*9)+(1*1)=132
132 % 10 = 2
So 5794-91-2 is a valid CAS Registry Number.
InChI:InChI=1/C15H24N6/c1-2-8-19(7-1)13-16-14(20-9-3-4-10-20)18-15(17-13)21-11-5-6-12-21/h1-12H2

5794-91-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4,6-tripyrrolidin-1-yl-1,3,5-triazine

1.2 Other means of identification

Product number -
Other names EINECS 227-339-9

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:5794-91-2 SDS

5794-91-2Downstream Products

5794-91-2Relevant academic research and scientific papers

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

Wang, Xueding,Xu, Yilian,Yang, Lu,Lu, Xiang,Zou, Hao,Yang, Weiqing,Zhang, Yuanyuan,Li, Zicheng,Ma, Menglin

, p. 707 - 723 (2018/05/05)

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.

One-Pot synthesis of sulfonamides from primary and secondary amine derived sulfonate salts using cyanuric chloride

Rad, Mohammad Navid Soltani,Khalafi-Nezhad, Ali,Asrari, Zeinab,Behrouz, Somayeh,Amini, Zohreh,Behrouz, Marzieh

scheme or table, p. 3983 - 3988 (2010/03/26)

A convenient, mild and efficient one-pot synthesis of new sulfonamides is described. The reaction of primary or secondary amine derived sulfonate salts in the presence of cyanuric chloride, triethylamine as base, and anhydrous acetonitrile as solvent at room temperature gives the corresponding sulfonamides in good to excellent yields. Georg Thieme Verlag Stuttgart.

The umpolung of substituent effect in nucleophilic aromatic substitution. A new approach to the synthesis of N,N-disubstituted melamines (triazine triskelions) under mild reaction conditions

Kolesinska, Beata,Kaminski, Zbigniew J.

experimental part, p. 3573 - 3576 (2009/09/08)

By the umpolung of substituent effect 1,3,5-triazines substituted with three dialkylamino groups were prepared under mild reaction conditions by treatment of cyanuric chloride with tertiary amines. Quaternary N-triazinylammonium salts were identified as reactive intermediates activating the triazine ring and strongly promoting the persubstitution of all chlorine atoms. The final degradation of intermediate N-triazinylammonium chlorides proceeded at room temperature or in boiling dichloromethane spontaneously within irreversible evolution of appropriate chloroalkane.

A practical and easy synthesis of 2,4,6-trisubstituted-s-triazines

Herrera, Antonio,Martinez-Alvarez, Roberto,Ramiro, Pedro,Chioua, Mourad,Chioua, Rachid

, p. 503 - 505 (2007/10/03)

Triflic anhydride was found to be efficient for the cyclotrimerization of dialkylcyanamides under mild conditions. The same reaction can be applied to aryl nitriles and thiocyanates.

Reaction of disubstituted cyanamides with formamides under high pressure

Shibuya, Isao,Oishi, Akihiro,Yasumoto, Masahiko

, p. 1659 - 1662 (2007/10/03)

High pressure-assisted co-cyclization of disubstituted cyanamides with formamide or monosubstituted formamides gave 2-amino- or 2-monosubstituted amino-4,6-bis(disubstituted amino)-1,3,5-triazines in one pot.

Recherche de nouveaux solvants organiques utilisables dans les accumulateurs au lithium (II). Proprietes de certains nitriles aliphatiques substitues par des groupements donneurs

Guibert, Sylvie,Cariou, Michel,Simonet, Jacques

, p. 924 - 929 (2007/10/02)

Among new organic solvents which can be stable towards metallic lithium, possessing a low activity at the anode or/and the cathode are three substituted nitriles with alkoxy- or amino- groups.Presented results allow to discuss their eventual use in lithium batteries.

Amination, III. Trimethylsilanol as Leaving Group, V. Silylation - Amination of Hydroxy N-Heterocycles

Vorbrueggen, Helmut,Krolikiewicz, Konrad

, p. 1523 - 1541 (2007/10/02)

Hydroxy N-heterocycles such as 18, 21, 26, and others are efficiently aminated in a one-step/one-pot procedure by silylation-amination to give 20, 23 - 25 etc.Silylation converts aromatic hydroxy N-heterocycles into activated and lipophilic intermediates of type 3, 8 which react in situ with ammonia, primary or secondary amines to form the corresponding mono-, bis- or tris-aminated products (5, 10).This addition-elimination of amines to O-silylated heterocycles is Lewis acid-catalysed and proceeds usually in high yields if the leaving group trimethylsilanol is converted in situ by excess silylated agent into hexamethyldisiloxane.Scope and limitations of this simple procedure are discussed.

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