5794-91-2

Basic information

• Product Name: 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine
• Synonyms: 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine;2,4,6-Tripyrrolizino-1,3,5-triazine;2,4,6-Tris(1-pyrrolidinyl)-1,3,5-triazine;Einecs 227-339-9;2,4,6-tripyrrolidin-1-yl-1,3,5-triazine
• CAS NO: 5794-91-2
• Molecular Formula: C₁₅H₂₄N₆
• Molecular Weight: 288.39126
• EINECS: 227-339-9
• Mol File: 5794-91-2.mol
• Article Data: 7

Chemical Properties

• Melting Point: 186.6-189.8 °C
• Boiling Point: 486.3°Cat760mmHg
• Flash Point: 247.9°C
• Appearance: /
• Density: 1.239g/cm³
• Vapor Pressure: 1.3E-09mmHg at 25°C
• Refractive Index: 1.614
• PKA: 6.27±0.10(Predicted)
• CAS DataBase Reference: 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine(5794-91-2)
• EPA Substance Registry System: 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine(5794-91-2)

Safety Data

• Hazardous Substances Data: 5794-91-2(Hazardous Substances Data)

Usage

General Description

2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine is a chemical compound with the molecular formula C21H27N7. It is an organic compound that contains a triazine ring with three pyrrolidine groups attached to it. 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine is used as a ligand in coordination chemistry and catalysis. It has also been studied for its potential use in molecular recognition and as a building block for supramolecular assemblies. Additionally, 2,4,6-tris(pyrrolidin-1-yl)-1,3,5-triazine has shown promise in biomedical applications, including drug delivery and imaging agents. Overall, this compound exhibits interesting properties and has potential applications in various fields of chemistry and biology.

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

Upstream product

• 120-94-5 1-Methylpyrrolidine 
• 108-77-0 1,3,5-trichloro-2,4,6-triazine 
• 1530-88-7 pyrrolidine-1-carbonitrile 
• 123-39-7 N-Methylformamide 
• 123-75-1 pyrrolidine 
• 108-80-5 cyanuric acid 

Relevant articles and documents

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.

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

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.

Reaction of disubstituted cyanamides with formamides under high pressure

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.