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1-benzyl-4-[(phenylselanyl)methyl]-1H-1,2,3-triazole is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

1399679-50-5

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1399679-50-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1399679-50-5 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,9,9,6,7 and 9 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1399679-50:
(9*1)+(8*3)+(7*9)+(6*9)+(5*6)+(4*7)+(3*9)+(2*5)+(1*0)=245
245 % 10 = 5
So 1399679-50-5 is a valid CAS Registry Number.

1399679-50-5Downstream Products

1399679-50-5Relevant academic research and scientific papers

Catalyst activation with CpRhIII/IrIII-1,2,3- triazole-based organochalcogen ligand complexes: Transfer hydrogenation via loss of cp* and N -methylmorpholine N -oxide based Vs oppenauer-type oxidation

Saleem, Fariha,Rao, Gyandshwar Kumar,Kumar, Arun,Mukherjee, Goutam,Singh, Ajai K.

, p. 2341 - 2351 (2014)

The reactions of 1-benzyl-4-((phenylthio/phenylseleno)methyl)-1H-1,2,3- triazole (L1/L2) and 4-phenyl-1-((phenylthio/phenylseleno)methyl)-1H-1,2,3- triazole (L3/L4), synthesized using the click reaction, with [(n 5-Cp)RhCl(U-Cl)]2 and [(n5-Cp)IrCl(U-Cl)] 2 at room temperature followed by treatment with NH 4PF6 result in complexes of the type [[(n 5-Cp)M(L)Cl] (1-8). Their HR-MS and 1H, 13C{1H}, and 77Se{1H} NMR spectra have been found characteristic. The single-crystal structures of 2, 3, and 6 have been established by X-ray crystallography. There is a pseudo-octahedral "piano-stool" disposition of donor atoms around Rh/Ir. In 1, 2, 5, and 6 N(3) of the triazole skeleton coordinates with Rh/Ir, whereas in the other four complexes the nitrogen involved is N(2). These complexes have been explored as catalysts for N-methylmorpholine N-oxide (NMO) based and Oppenauer-type oxidation of alcohols and transfer hydrogenation (TH) of carbonyl compounds with 2-propanol. Oppenauer type oxidation is somewhat slower than that based on NMO. The homogeneous nature of TH is supported by a poisoning test. The catalytic processes are more efficient with Rh complexes than the corresponding Ir complexes. The complexes having N(2) coordinated with the metal have shown better activity than those in which N(3) is involved in ligation. The reactivity with respect to ligands is in the order Se > S. In TH the species formed with loss of Cp* appears to be involved in catalysis with Rh as well as Ir complexes. Such a loss is noticed in the case of Rh for the first time. Generally results of DFT calculations are consistent with the experimental results.

A comparative study between Cu(INA)2-MOF and [Cu(INA)2(H2O)4] complex for a click reaction and the Biginelli reaction under solvent-free conditions

Mansano Willig, Julia C.,Granetto, Gustavo,Reginato, Danielly,Dutra, Felipe R.,Poruczinski, érica Fernanda,De Oliveira, Isadora M.,Stefani, Helio A.,De Campos, Sílvia D.,De Campos, élvio A.,Manarin, Flávia,Botteselle, Giancarlo V.

, p. 3407 - 3415 (2020/02/04)

The catalytic activity of metal-organic framework Cu(INA)2 (INA = isonicotinate ion) and the complex [Cu(INA)2(H2O)4] were studied in the Copper-catalyzed Azide-Alkyne Cycloaddition (CuAAC) and Biginelli reactio

Palladium(II) complexes bearing the 1,2,3-triazole based organosulfur/ selenium ligand: Synthesis, structure and applications in Heck and Suzuki-Miyaura coupling as a catalyst via palladium nanoparticles

Saleem, Fariha,Rao,Kumar, Arun,Kumar, Satyendra,Singh, Mahabir P.,Singh, Ajai K.

, p. 56102 - 56111 (2015/01/16)

Air and moisture insensitive palladium complexes, [Pd(L)Cl2] (1/2), in which L = 1-benzyl-4-phenylthiomethyl or 1-benzyl-4-phenylselenomethyl-1H-1,2,3-triazole (L1 or L2) catalyze Heck (HC) and Suzuki-Miyaura coupling (SMC) reactions between a series of aryl bromides including deactivated bromides and n-butyl acrylate and phenylboronic acid, respectively. The optimal catalytic loading was found to be in the order of 0.01 mol%. HRTEM, TGA and EDX data indicated that 3-11 nm nanoparticles (NPs) composed of palladium and sulfur or selenium and protected with L or its fragment, were formed during the catalyzed reaction. The isolated NPs displayed catalytic activity and appeared to have a role in the catalysis. A two-phase test indicated that both homogeneous and heterogeneous catalysis took place. The complexes 1 and 2 were synthesized by the reactions of L1 and L2 respectively with [(MeCN)2PdCl2]. Their single crystal X-ray diffraction indicated that the geometry adopted by ligands around Pd in both complexes is distorted square planar with Pd-S and Pd-Se bond lengths of 2.2727(14) and 2.3693(8) A, respectively. DFT calculation gave bond lengths and angles in keeping with the experimental values. The DFT calculated HOMO-LUMO energy difference is lower for 1 than for 2 in accordance with the observed higher catalytic activity of 1.

Half-sandwich ruthenium(II) complexes of click generated 1,2,3-triazole based organosulfur/-selenium ligands: Structural and donor site dependent catalytic oxidation and transfer hydrogenation aspects

Saleem, Fariha,Rao, Gyandshwar Kumar,Kumar, Arun,Mukherjee, Goutam,Singh, Ajai K.

, p. 3595 - 3603 (2013/07/26)

1-Benzyl-4-((phenylthio)-/(phenylseleno)methyl)-1H-1,2,3-triazole (L1/L2) and 4-phenyl-1-((phenylthio)-/(phenylseleno)methyl)-1H-1,2,3-triazole (L3/L4) synthesized using the click reaction have been reacted for the first time with [{(η6-C6H6)RuCl(μ-Cl)}2] and NH4PF6 to design the half-sandwich complexes [(η6-benzene)RuLCl]PF6 (1-4 for L = L1-L4), which have been characterized by single-crystal X-ray diffraction and explored for the catalytic oxidation of alcohols with N-methylmorpholine N-oxide (NMO) and transfer hydrogenation of ketones with 2-propanol. There is a pseudo-octahedral "piano-stool" disposition of donor atoms around Ru in 1-4. In 1 and 2, N(3) of the triazole skeleton coordinates with Ru, whereas in other complexes the nitrogen involved is N(2). The Ru-S and Ru-Se bond distances are 2.3847(11)/2.3893(10) and 2.497(5)/2.4859(9) A, respectively. The catalytic processes are more efficient with 3 and 4 (compared to 1 and 2), in which N(2) of the triazole is involved in coordination with Ru. The nature of the chalcogen and steric factors together also appear to affect the efficiency of complexes. HOMO-LUMO energy gaps are lower for 3 and 4 than for 1 and 2. The formation of RuIV=O species probably results in oxidation and transfer hydrogenation involves an intermediate containing Ru-H. Bond distances and angles based on DFT calculations are generally consistent with experimental values.

Synthesis of [(arylselanyl)alkyl]-1,2,3-triazoles by copper-catalyzed 1,3-dipolar cycloaddition of (arylselanyl)alkynes with benzyl azides

Saraiva, Maiara T.,Seus, Natalia,De Souza, Diego,Rodrigues, Oscar E. D.,Paixao, Marcio W.,Jacob, Raquel G.,Lenardao, Eder J.,Perin, Gelson,Alves, Diego

supporting information; experimental part, p. 1997 - 2004 (2012/08/27)

In the presence of catalytic amounts of copper salts and sodium ascorbate, various (arylselanyl)alkynes underwent click-type 1,3-dipolar cycloaddition reactions with a range of benzyl azides bearing electron-withdrawing or electron-donating groups to give a series of novel [(arylselanyl)alkyl]-1,2,3- triazoles. This click chemistry protocol is an efficient method for synthesizing new selenium-nitrogen compounds that are potentially useful in biological studies. Georg Thieme Verlag Stuttgart . New York.

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