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N-benzyl-m-toluidine, with the molecular formula C15H17N, is a chemical compound that serves as an essential intermediate in the synthesis of a variety of organic compounds, including dyes, pharmaceuticals, and agrochemicals. Recognized for its potential adverse health effects, it is classified as a substance of very high concern (SVHC) under the European Union's REACH regulation, necessitating careful handling and storage to mitigate risks to human health and the environment.

5405-17-4

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5405-17-4 Usage

Uses

Used in Chemical Synthesis Industry:
N-benzyl-m-toluidine is utilized as a key intermediate in the production of various organic compounds, primarily for the synthesis of dyes, pharmaceuticals, and agrochemicals. Its role in these syntheses is crucial for creating a range of end products that have diverse applications across different sectors.
Used in Dye Manufacturing:
N-benzyl-m-toluidine is used as a precursor in the manufacturing of dyes, contributing to the development of colorants for various industrial applications, including textiles, plastics, and printing inks.
Used in Pharmaceutical Development:
In the pharmaceutical industry, n-benzyl-m-toluidine is employed as a building block in the synthesis of medicinal compounds, potentially leading to the creation of new drugs with therapeutic benefits.
Used in Agrochemical Production:
n-benzyl-m-toluidine also finds application in the agrochemical sector, where it is used in the synthesis of various agrochemicals, such as pesticides and herbicides, to enhance crop protection and yield.
Given its toxic nature and potential to cause harm if ingested, inhaled, or upon skin and eye contact, it is imperative that n-benzyl-m-toluidine is handled and stored with strict adherence to safety protocols to ensure the well-being of individuals and preservation of the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 5405-17-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,0 and 5 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5405-17:
(6*5)+(5*4)+(4*0)+(3*5)+(2*1)+(1*7)=74
74 % 10 = 4
So 5405-17-4 is a valid CAS Registry Number.
InChI:InChI=1/C27H29N3O4/c1-27(2)13-20-25(21(31)14-27)24(16-6-11-22(33-4)23(12-16)34-5)19(15-28)26(29)30(20)17-7-9-18(32-3)10-8-17/h6-12,24H,13-14,29H2,1-5H3

5405-17-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name N-benzyl-3-methylaniline,hydrochloride

1.2 Other means of identification

Product number -
Other names m-Tolylbenzylamine

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:5405-17-4 SDS

5405-17-4Relevant academic research and scientific papers

In Situ Formation of Cationic π-Allylpalladium Precatalysts in Alcoholic Solvents: Application to C-N Bond Formation

Bailly, Aurélien,Bihel, Frédéric,Grimaud, Laurence,Oliva, Estefania,Schmitt, Martine,Steinsoultz, Philippe,Wagner, Patrick

, p. 560 - 567 (2022/01/03)

We report an efficient Buchwald-Hartwig cross-coupling reaction in alcoholic solvent, in which a low catalyst loading showed excellent performance for coupling aryl halides (I, Br, and Cl) with a broad set of amines, amides, ureas, and carbamates under mild conditions. Mechanistically speaking, in a protic and polar medium, extremely bulky biarylphosphine ligands interact with the dimeric precatalyst [Pd(π-(R)-allyl)Cl]2 to form the corresponding cationic complexes [Pd(π-(R)-allyl)(L)]Cl in situ and spontaneously. The resulting precatalyst further evolves under basic conditions into the corresponding L-Pd(0) catalyst, which is commonly employed for cross-coupling reactions. This mechanistic study highlights the prominent role of alcoholic solvents for the formation of the active catalyst.

A Fe single atom on N,S-doped carbon catalyst for performing N-alkylation of aromatic amines under solvent-free conditions

Lin, Yamei,Lu, Guo-Ping,Shan, Hongbin,Wang, Pengcheng,Zhang, Kai,Zhong, Qin,Zhou, Baojing

supporting information, p. 25128 - 25135 (2021/11/26)

A green and gram-scale strategy has been developed for the synthesis of Fe single atom/N,S-doped carbon catalyst (Fe20-SA@NSC) via the pyrolysis of polyaniline (PAN)-modified Fe,S-doped ZIFs, in which the synthesis of ZIFs can be accomplished in water at room temperature. The as-prepared catalyst exhibits superior activity in the N-alkylation of amines with alcohols via a borrowing strategy under solvent-free conditions (TOF up to 13.9 h-1). Based on the HAADF-STEM and XAFS results, Fe in this material is dispersed as the single-atom Fe1-N4S1 site. According to the experimental and theoretical calculation results, the Fe1-N4S1 site displays a better borrowing hydrogen ability than other Fe sites owing to its higher electron density. In addition, this catalyst has excellent stability and recyclability, and no obvious loss in activity is observed after 7 runs.

Effect of the ancillary ligand in N-heterocyclic carbene iridium(III) catalyzed N-alkylation of amines with alcohols

Feng, Xinshu,Huang, Ming

, (2021/06/21)

A series of air-stable N-heterocyclic carbene (NHC) Ir(III) complexes (Ir1-6), bearing various combinations of chlorine, pyridine and NHC ligands, were assayed for the N-alkylation of amines with alcohols. It was found that Ir3, with two monodentate 1,3-bis-methyl-imidazolylidene (IMe) ligands, emerged as the most active complex. A large variety of amines and primary alcohols were efficiently converted into mono-N-alkylated amines in 53–96% yields. As a special highlight, for the challenging MeOH, selective N-monomethylation could be achieved using KOH as a base under an air atmosphere. Moreover, this catalytic system was successfully applied to the gram-scale synthesis of some valuable compounds.

Synthesis of an Fe-Pd bimetallic catalyst for: N -alkylation of amines with alcohols via a hydrogen auto-transfer methodology

Wu, Peng-Yu,Lu, Guo-Ping,Cai, Chun

, p. 396 - 404 (2021/01/28)

Hydrogen auto-transfer (HAT) or borrowing hydrogen (BH) methodology which combines dehydrogenation, intermediate reaction and hydrogenation, is recognized as an excellent strategy for one-pot synthesis from an economic and environmental point of view. Although much effort has been made on the development of catalysts for HAT reactions, harsh conditions, external base or large amounts of noble metals are still required in most reported catalysis systems, and thus the exploration of a highly efficient and recyclable heterogeneous catalyst remains meaningful. In this work, a novel bimetallic catalyst, Fe10Pd1/NC500 derived from bimetallic MOF NH2-MIL-101(Fe10Pd1), has been prepared, and the catalyst exhibits superior catalytic performance for the N-alkylation of amines with alcohols via a hydrogen auto-transfer methodology. High yields of the desired products were achieved at 120 °C with an alcohol/amine molar ratio of 2?:?1 and required no external additive or solvent. A distinct enhancement in catalytic performance is observed when compared with monometallic catalysts, which can be ascribed to the "synergistic effects"inside the bimetallic alloys. The N-doped carbon support has been revealed to provide the necessary basicity which avoids the requirement of an external base. Moreover, a wide substrate range and remarkable reusability have been shown by Fe10Pd1/NC500, and this work highlights new possibilities for bimetallic catalysts applied in sustainable chemistry.

Nickel?Copper bimetallic mesoporous nanoparticles: As an efficient heterogeneous catalyst for N-alkylation of amines with alcohols

Nasresfahani, Zahra,Kassaee, Mohamad Z.

, (2020/10/30)

A bimetallic catalyst (Ni/Cu-MCM-41) is prepared via co-condensation method. The latter is characterized by Fourier transform infrared (FT-IR), X-ray powder diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), diffuse reflectance spectroscopy (DRS), and nitrogen adsorption–desorption analysis. Catalytic performance of Ni/Cu-MCM-41 is probed in N-alkylation of amines with alcohols through a hydrogen autotransfer process. Noteworthy, this catalytic system appears very efficient for synthesis of a range of secondary and tertiary amines in good to excellent isolated yields. Moreover, the catalyst is successfully recovered and reused four times without notable decrease in its activity.

Ruthenium(ii) complexes with N-heterocyclic carbene-phosphine ligands for theN-alkylation of amines with alcohols

Huang, Ming,Li, Yinwu,Lan, Xiao-Bing,Liu, Jiahao,Zhao, Cunyuan,Liu, Yan,Ke, Zhuofeng

supporting information, p. 3451 - 3461 (2021/05/03)

Metal hydride complexes are key intermediates forN-alkylation of amines with alcohols by the borrowing hydrogen/hydrogen autotransfer (BH/HA) strategy. Reactivity tuning of metal hydride complexes could adjust the dehydrogenation of alcohols and the hydrogenation of imines. Herein we report ruthenium(ii) complexes with hetero-bidentate N-heterocyclic carbene (NHC)-phosphine ligands, which realize smart pathway selection in theN-alkylated reactionviareactivity tuning of [Ru-H] species by hetero-bidentate ligands. In particular, complex6cbwith a phenyl wingtip group and BArF?counter anion, is shown to be one of the most efficient pre-catalysts for this transformation (temperature is as low as 70 °C, neat conditions and catalyst loading is as low as 0.25 mol%). A large variety of (hetero)aromatic amines and primary alcohols were efficiently converted into mono-N-alkylated amines in good to excellent isolated yields. Notably, aliphatic amines, challenging methanol and diamines could also be transformed into the desired products. Detailed control experiments and density functional theory (DFT) calculations provide insights to understand the mechanism and the smart pathway selectionvia[Ru-H] species in this process.

Convenient and Reusable Manganese-Based Nanocatalyst for Amination of Alcohols

Subaramanian, Murugan,Ramar, Palmurukan M.,Sivakumar, Ganesan,Kadam, Ravishankar G.,Petr, Martin,Zboril, Radek,Gawande, Manoj B.,Balaraman, Ekambaram

, p. 4334 - 4341 (2021/08/25)

The development of new sustainable nanocatalytic systems for green chemical synthesis is a growing area in chemical science. Herein, a reusable heterogeneous N-doped graphene-based manganese nanocatalyst (Mn@NrGO) for selective N-alkylation of amines with alcohols is described. Mechanistic studies illustrate that the catalytic reaction follows a domino dehydrogenation-condensation-hydrogenation sequence of alcohols and amines with the formation of water as the sole by-product. The scope of the reaction is extended to the synthesis of pharmaceutically important N-alkylated amine intermediates. The heterogeneous nature of the catalyst made it easy to separate for long-term performance, and the recycling study revealed that the catalyst was robust and retained its activity after several recycling experiments.

Cooperative catalysis of molybdenum with organocatalysts for distribution of products between amines and imines

Wu, Di,Bu, Qingqing,Guo, Cheng,Dai, Bin,Liu, Ning

, (2021/02/02)

Multi-amino groups and nitrogen donors compound was discovered as an organocatalyst for N-alkylation of alcohols with amines in the presence of Mo(CO)6. The Mo(CO)6/organocatalyst binary system has shown to be a highly active catalyst for the N-alkylation reaction between alcohols and amines with excellent tolerance of variable starting materials bearing different functional groups. Of particular note, this method possessing a superiority selectivity in the synthesis of N-alkylated amines or imines, which can be controlled by the reaction temperature. The cooperative catalysis mechanism in combination of Mo(CO)6 with organocatalyst was elucidated by control experiments.

Switchable Imine and Amine Synthesis Catalyzed by a Well-Defined Cobalt Complex

Paudel, Keshav,Xu, Shi,Hietsoi, Oleksandr,Pandey, Bedraj,Onuh, Chuka,Ding, Keying

supporting information, p. 418 - 426 (2021/02/01)

Switchable imine and amine synthesis catalyzed by a tripodal ligand-supported well-defined cobalt complex is presented herein. A large variety of primary alcohols and amines were selectively converted to imines or amines in good to excellent yields. It is discovered that the base plays a crucial role on the selectivity. A catalytic amount of base leads to the imine formation, while an excess loading of base results in the amine product. This strategy on product selectivity also strongly depends on the organometallic catalysts in use. We expect that the present study could provide useful insights toward selective organic synthesis and catalyst design.

Photocatalytic one-pot multidirectional N-alkylation over Pt/D-TiO2/Ti3C2: Ti3C2-based short-range directional charge transmission

Jiang, Heyan,Sheng, Meilin,Li, Yue,Kong, Shuzhen,Bian, Fengxia

, (2021/05/17)

Visible-light-induced one-pot, multistep, and chemoselectivity adjustable reactions highlight the economical, sustainable, and green process. Herein, we report Pt nanoparticles dispersed on S and N co-doped titanium dioxide/titanium carbide (MXene) (3%Pt/

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