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"Benzenamine, N-[(4-nitrophenyl)methylene]-, (E)-" is an organic compound with the chemical formula C13H10N2O2. It is a derivative of benzenamine (aniline), featuring a nitro group attached to the para position of the phenyl ring and a methylene group connecting the phenyl ring to the nitrogen atom. The compound exhibits a trans (E) configuration, indicating the geometric arrangement of the nitro group and the methylene group relative to the double bond. This chemical is known for its potential applications in the synthesis of dyes and pharmaceuticals, and it is also used as an intermediate in various chemical reactions. Due to its reactivity and the presence of a nitro group, it is important to handle Benzenamine, N-[(4-nitrophenyl)methylene]-, (E)- with care, as it may pose certain health and environmental risks.

1614-00-2

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1614-00-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1614-00-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,6,1 and 4 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 1614-00:
(6*1)+(5*6)+(4*1)+(3*4)+(2*0)+(1*0)=52
52 % 10 = 2
So 1614-00-2 is a valid CAS Registry Number.

1614-00-2SDS

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 (4-nitro-benzylidene)-phenyl-amine

1.2 Other means of identification

Product number -
Other names N-(4-nitrobenzyl)aniline

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:1614-00-2 SDS

1614-00-2Relevant academic research and scientific papers

Thermochemistry of imines: Experimental standard molar enthalpies of formation

Verevkin, Sergey P.,Morgenthaler, Jens,Ruechardt, Christoph

, p. 1175 - 1183 (1997)

The standard (po = 0.1 MPa) molar enthalpies of formation ΔfHom(1 or cr) at the temperature T = 298.15 K were measured using combustion calorimetry for benzophenone-imine (A), N-methyl-benzaldehyde-imine (B), N-

Conformational change of N-benzylideneanilines in crystals

Harada, Jun,Harakawa, Mayuko,Ogawa, Keiichiro

, p. 589 - 597 (2004)

The crystal structures of N-(4-nitrobenzylidene)aniline (1), N-(4-chlorobenzylidene)-4-methylaniline (2) and N-(4-methylbenzylidene)-4- methylaniIine (3) were determined by X-ray diffraction analyses at various temperatures. A dynamic disorder was observe

Copper-Catalyzed Cascade Reaction via Intramolecular Hydroamination Cyclization of Homopropargylic Amines and Intermolecular Povarov Reaction with Imines

Wang, Hongkai,Wang, Chan,Huang, Kaimeng,Liu, Lingyan,Chang, Weixing,Li, Jing

, p. 2367 - 2370 (2016)

A new one-pot cascade reaction of homopropargylic amines with simple imines is developed in the presence of Cu(OTf)2 and affords a series of hexahydro-1H-pyrrolo[3,2-c]quinoline derivatives in good to high yields. This reaction proceeds through

A DFT and experimental study of the spectroscopic and hydrolytic degradation behaviour of some benzylideneanilines

Nelson, Peter N.,Robertson, Tahjna I.

, (2021/10/12)

The spectroscopic and hydrolytic degradation behaviour of some N-benzylideneanilines are investigated experimentally and theoretically via high quality density function theoretical (DFT) modelling techniques. Their absorption and vibrational spectra, accurately predicted by DFT calculations, are highly dependent on the nature of the substituents on the aromatic rings, hence, though some of their spectroscopic features are similar, energetic differences exist due to differences in their electronic structures. Whereas the o-hydroxy aniline derived adducts undergo hydrolysis via two pathways, the most energetically economical of which is initiated by a fast enthalpy driven hydration, over a conservative free energy (ΔG?) barrier of 53 kJ mol?1, prior to the rate limiting entropy controlled lysis step which occurs via a conservative barrier of ca.132 kJ mol?1, all other compounds hydrolyse via a slower two-step pathway, limited by the hydration step. Barriers heights for both pathways are controlled primarily by the structure and hence, stability of the transition states, all of which are cyclic for both pathways.

Nanomagnetic catalysis (Fe3O4@S–TiO2): a novel magnetically nano catalyst for the synthesis of new highly substituted tetrahydropyridine derivatives under solvent-free conditions

Nezami, Zahra,Eshghi, Hossein

, p. 1997 - 2008 (2021/01/20)

A novel nanomagnetic catalyst (Fe3O4@S–TiO2) was prepared by the hydrothermal method. At the first, Fe3O4 nanoparticles were synthesized, then iron oxide nanoparticles (IONPs) were dispersed in ethano

Visible-Light-Induced Cycloaddition of α-Ketoacylsilanes with Imines: Facile Access to β-Lactams

Ye, Jian-Heng,Bellotti, Peter,Paulisch, Tiffany O.,Daniliuc, Constantin G.,Glorius, Frank

supporting information, p. 13671 - 13676 (2021/05/11)

We report the synthesis of β-lactams from α-ketoacylsilanes and imines, which proceeds via a formal [2+2] photochemical cycloaddition with in situ generation of siloxyketene. This mild and operationally simple reaction proceeds in an atom-economic fashion with broad substrate scope, including aldimines, ketimines, hydrazones, and fused nitrogen heterocycles, affording a variety of important β-lactams with satisfactory diastereoselectivities in most cases. This reaction also features good functional-group tolerance, facile scalability and product diversification. Experimental and computational studies suggest that α-ketoacylsilanes can serve as photochemical precursors by engaging in a 1,3 silicon shift to the distal carbonyl group.

A novel water-dispersible and magnetically recyclable nickel nanoparticles for the one-pot reduction-Schiff base condensation of nitroarenes in pure water

Ghamari Kargar, Pouya,Ravanjamjah, Asiye,Bagherzade, Ghodsieh

, p. 1916 - 1933 (2021/07/10)

In this work, a heterogeneous nanocatalyst called Ni-Fe3O4@Pectin~PPA ~ Piconal was first synthesized, which was investigated as a bifunctional catalyst containing nickel functional groups. On the other hand, this Ni-Fe3O4@Pectin~PPA ~ Piconal catalyst in aqueous solvents shows a very effective performance at ambient temperature for the nitroarene reduction reaction with sodium borohydride, for which NaBH4 is considered as a reducing agent. This is a novelty magnetic catalyst that was approved by various methods, including Fourier-transform infrared spectroscopy (FT-IR), X-ray powder diffraction (XRD), Dynamic light scattering (DLS), Transmission electron microscopy (TEM), vibrating sample magnetometer (VSM), Inductively coupled plasma (ICP), Energy-dispersive X-ray spectroscopy (EDX), and Field emission scanning electron microscopy (FESEM) analyses. From the satisfactory results obtained from the reduction of nitrogen, this catalytic system is used for a one-pot protocol containing a reduction-Schiff base concentration of diverse nitroarenes. It was corroborated with the heterogeneous catalytic experiments on the one-pot tandem synthesis of imines from nitroarenes and aldehydes. Finally, the novel Ni-Fe3O4@Pectin~PPA ~ Piconal catalyst could function as a more economically desirable and environmentally amicable in the catalysis field. The favorable products are acquired in good to high performance in the attendance of Ni-Fe3O4@Pectin~PPA ~ Piconal as a bifunctional catalyst. This catalyst can be recycled up to six steps without losing a sharp drop.

Insight into the Modes of Activation of Pyridinium and Bipyridinium Salts in Non-Covalent Organocatalysis

Weiss, Robin,Golisano, Tamara,Pale, Patrick,Mamane, Victor

supporting information, p. 4779 - 4788 (2021/09/06)

A series of pyridinium and bipyridinium salts were prepared and their catalytic properties were evaluated in the aza-Diels-Alder reaction between imines and Danishefsky diene. Depending on the substituents of the pyridinium/bipyridinium rings and on the nature of the counterion, two mechanisms of activation were demonstrated. In case of non-substituted rings, the substrate is activated through charge transfer involving the aryl ring on the C-side of the imine. When halogen atoms were introduced on the catalysts, the activation mode switched to halogen bond involving the imine nitrogen lone pair. Moreover, alternative activation modes based on hydrogen bonding and radical cation were ruled out. This work allowed us to develop two families of catalysts whose potential was demonstrated in the cycloaddition of various imines with Danishefsky diene. The first family is composed of the simple methyl pyridinium triflate and dioctyl bipyridinium triflate. The former is active only with imines bearing a p-methoxyphenyl group on the C-side and the latter was found to be efficient with imines bearing different substituents on both the N- and C-sides of the imines. The second family is based on halogenated pyridinium salts which proved active with almost all considered imines. (Figure presented.).

Efficient Imine Formation by Oxidative Coupling at Low Temperature Catalyzed by High-Surface-Area Mesoporous CeO2 with Exceptional Redox Property

Wu, Shipeng,Wang, Yinghao,Cao, Qiue,Zhao, Qihua,Fang, Wenhao

supporting information, p. 3019 - 3028 (2020/12/11)

High-surface-area mesoporous CeO2 (hsmCeO2) was prepared by a facile organic-template-induced homogeneous precipitation process and showed excellent catalytic activity in imine synthesis in the absence of base from primary alcohols and amines in air atmosphere at low temperature. For comparison, ordinary CeO2 and hsmCeO2 after different thermal treatments were also investigated. XRD, N2 physisorption, UV-Raman, H2 temperature-programmed reduction, O2 temperature-programmed desorption, EPR spectroscopy, and X-ray photoelectron spectroscopy were used to unravel the structural and redox properties. The hsmCeO2 calcined at 400 °C shows the highest specific surface area (158 m2 g?1), the highest fraction of surface coordinatively unsaturated Ce3+ ions (18.2 %), and the highest concentration of reactive oxygen vacancies (2.4×1015 spins g?1). In the model reaction of oxidative coupling of benzyl alcohol and aniline, such an exceptional redox property of the hsmCeO2 catalyst can boost benzylideneaniline formation (2.75 and 5.55 mmol (Formula presented.) h?1 based on >99 % yield at 60 and 80 °C, respectively) in air with no base additives. It can also work effectively at a temperature of 30 °C and in gram-scale synthesis. These are among the best results for all benchmark ceria catalysts in the literature. Moreover, the hsmCeO2 catalyst shows a wide scope towards primary alcohols and amines with good to excellent yield of imines. The influence of reaction parameters, the reusability of the catalyst, and the reaction mechanism were investigated.

Ionic-Liquid-Catalyzed Synthesis of Imines, Benzimidazoles, Benzothiazoles, Quinoxalines and Quinolines through C?N, C?S, and C?C Bond Formation

Adimurthy, Subbarayappa,Badhani, Gaurav,Joshi, Abhisek

, p. 6705 - 6716 (2021/12/31)

We report the tetramethyl ammonium hydroxide catalyzed oxidative coupling of amines and alcohols for the synthesis of imines under metal-free conditions by utilizing oxygen from air as the terminal oxidant. Under the same conditions, with ortho-phenylene diamines and 2-aminobenzenethiols the corresponding benzimidazoles and benzothiazoles were obtained. Quinoxalines were obtained from ortho-phenylene diamines and 1-phenylethane-1,2-diol, the conditions were then extended to the synthesis of quinoline building blocks by reaction of 2-amino benzyl alcohols either with 1-phenylethan-1-ol or acetophenone derivatives. The formation of C?N, C?S and C?C bonds was achieved under metal-free conditions. A broad range of amines (aromatic, aliphatic, cyclic and heteroaromatic) as well as benzylic alcohols including heteroaryl alcohols reacted smoothly and provided the desired products. The mild reaction conditions, commercially available catalyst, metal-free, good functional-group tolerance, broad range of products (imines, benzimidazoles, benzothiazoles, quinoxalines and quinolines) and applicability at gram scale reactions are the advantages of the present strategy.

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