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N,N-Diethylaniline is an organic compound with the chemical formula C10H15N. It is a derivative of aniline, where two ethyl groups are attached to the nitrogen atom. N,N-Diethylaniline is characterized by its amine functional group and is known for its applications in various industries.

91-66-7

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91-66-7 Usage

Uses

Used in Dye Industry:
N,N-Diethylaniline is used as a dyestuff intermediate for the synthesis of various dyes. Its chemical structure allows it to be a key component in the production of dyes with specific color properties and stability.
Used in Organic Syntheses:
N,N-Diethylaniline serves as a versatile intermediate in organic synthesis. It is utilized in the preparation of other organic compounds, including pharmaceuticals and agrochemicals, due to its reactive amine group and the ability to form various derivatives.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, N,N-Diethylaniline is used as a building block for the synthesis of various drugs. Its presence in the molecular structure can contribute to the drug's efficacy, potency, and pharmacokinetic properties.
Used in Chemical Industry:
N,N-Diethylaniline is also used in the chemical industry for the synthesis of other intermediates. These intermediates can be further processed to produce a wide range of chemical products, such as polymers, surfactants, and specialty chemicals.
Used in Formulation Industry:
N,N-Diethylaniline can be used in formulations to neutralize organic acids and adjust pH levels. Similar to DEA (diethanolamine), it can be employed to improve the properties of formulations by neutralizing acidic components, such as oleth-3 phosphate, a powerful emulsifier. This application helps in enhancing the overall performance and stability of the final product.

Synthesis Reference(s)

Chemistry Letters, 15, p. 293, 1986Journal of the American Chemical Society, 95, p. 3038, 1973 DOI: 10.1021/ja00790a064

Air & Water Reactions

Insoluble in water.

Reactivity Profile

N,N-Diethylaniline neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

Health Hazard

May be fatal if inhaled, swallowed or absorbed through the skin. Vapor or mist is irritant to the eyes, mucous membranes, upper respiratory tract; causes skin irritation. Absorption into the body leads to the formation of methemoglobin which, in sufficient concentration, may cause cyanosis. Onset may be delayed 2-4 hours or longer. Exposure can cause nausea, dizziness, headache, damage to the eyes, and blood effects.

Fire Hazard

Special Hazards of Combustion Products: Emits toxic fumes under fire conditions.

Flammability and Explosibility

Nonflammable

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also ANILINE DYES.

Purification Methods

Reflux the base for 4hours with half its weight of acetic anhydride, then fractionally distil it under reduced pressure (b 92o/10mm). [Beilstein 12 IV 252.]

Check Digit Verification of cas no

The CAS Registry Mumber 91-66-7 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 1 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 91-66:
(4*9)+(3*1)+(2*6)+(1*6)=57
57 % 10 = 7
So 91-66-7 is a valid CAS Registry Number.
InChI:InChI=1/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

91-66-7 Well-known Company Product Price

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  • CAS number
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  • Detail
  • Alfa Aesar

  • (A10560)  N,N-Diethylaniline, 99%   

  • 91-66-7

  • 500ml

  • 280.0CNY

  • Detail
  • Alfa Aesar

  • (A10560)  N,N-Diethylaniline, 99%   

  • 91-66-7

  • 2500ml

  • 775.0CNY

  • Detail
  • Alfa Aesar

  • (A10560)  N,N-Diethylaniline, 99%   

  • 91-66-7

  • 10000ml

  • 2698.0CNY

  • Detail
  • Sigma-Aldrich

  • (31960)  N,N-Diethylaniline  puriss. p.a., ≥99.5%

  • 91-66-7

  • 31960-100ML

  • 340.47CNY

  • Detail
  • Sigma-Aldrich

  • (31960)  N,N-Diethylaniline  puriss. p.a., ≥99.5%

  • 91-66-7

  • 31960-500ML

  • 649.35CNY

  • Detail

91-66-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name N,N-Diethylaniline

1.2 Other means of identification

Product number -
Other names Diethylphenylamine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Finishing agents,Intermediates
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:91-66-7 SDS

91-66-7Relevant academic research and scientific papers

Visible-light-induced transition metal and photosensitizer free decarbonylative addition of amino-arylaldehydes to ketones

Lang, Yatao,Li, Chao-Jun,Wang, Yi,Zeng, Huiying

, p. 698 - 703 (2022/02/01)

The decarbonylative-coupling reaction is generally promoted by transition metals (via organometallic complexes) or peroxides (via radical intermediates), often at high temperatures to facilitate the CO release. Herein, a visible-light-induced, transition metal and external photosensitizer free decarbonylative addition of benzaldehydes to ketones/aldehydes at room temperature is reported. Tertiary/secondary alcohols were obtained in moderate to excellent yields promoted by using CsF under mild conditions. The detailed mechanistic investigation showed that the reaction proceeded through photoexcitation–decarbonylation of the aldehyde to generate an aromatic anion, followed by its addition to ketones/aldehydes. The reaction mechanism was verified by the density functional theory (DFT) calculations.

Preparation method of N-alkylated derivative of primary amine compound

-

Paragraph 0021; 0054, (2021/07/09)

The invention relates to a preparation method of an N-alkylated derivative of a primary amine compound. The method comprises the following steps: uniformly mixing a primary amine compound, an alcohol compound and a catalyst in a reactor, and heating to react for a period of time to generate an N-alkylated substituted tertiary amine compound; wherein the catalyst is a copper-cobalt bimetallic catalyst, and the carrier of the catalyst is Al2O3. According to the method, alcohol is adopted as an alkylating reagent and is low in price and easy to obtain, a byproduct is water, no pollution is caused to the environment, and the overall reaction atom economy is high; the catalyst is simple in preparation method, low in cost, high in reaction activity and good in structural stability; meanwhile, by using the copper-cobalt bimetallic catalyst, the use of strong base additives can be avoided, and the requirement on reaction equipment is low; and the reaction post-treatment is convenient, and the catalyst can be recycled and is environment-friendly.

Highly Active Ni Nanoparticles on N-doped Mesoporous Carbon with Tunable Selectivity for the One-Pot Transfer Hydroalkylation of Nitroarenes with EtOH in the Absence of H2

Tao, Yuewen,Nie, Yunqing,Hu, Haitao,Wang, Ke,Chen, Yi,Nie, Renfeng,Wang, Jianshe,Lu, Tianliang,Zhang, Yongsheng,Xu, Chunbao Charles

, p. 4243 - 4250 (2021/08/20)

Cost-effective and environmentally friendly conversion of nitroarenes into value-added products is desirable but still challenging. In this work, highly dispersed Ni nanoparticles (NPs) supported on N-doped mesoporous carbon (Ni/NC-x) were synthesized via novel ion exchange-pyrolysis strategy. Their catalytic performance was investigated for one-pot transfer hydroalkylation of nitrobenzene (NB) with EtOH in absence of H2. Interestingly, the catalytic performance could be easily manipulated by tuning the morphology and electronic state of Ni NPs via varying the pyrolysis temperature. It was found that the Ni/NC-650 achieved 100 % nitrobenzene conversion and approx. 90 % selectivity of N,N-diethyl aniline at 240 °C for 5 h, more active than those of homogeneous catalysts or supported Ni catalysts prepared by impregnation (Ni/NC-650-IM, Ni/SiO2). This can be ascribed to the higher dispersion and better reducibility as well as richer surface basicity of the catalyst. More interestingly, the Ni/NC-650 catalyst achieved complete conversion of various nitroarenes, yielding imines, secondary amines, or tertiary amines selectively by simply controlling the reaction temperature at 180, 200 and 240 °C, respectively. The one-pot hydrogen-free process with non-noble metal catalysts, as demonstrated in this work, shows great promise for selective conversion of nitroarenes with ethanol to various anilines at industrial scale, from an economic, environmental, and safety viewpoint.

Reduced Phenalenyl in Catalytic Dehalogenative Deuteration and Hydrodehalogenation of Aryl Halides

Singh, Bhagat,Ahmed, Jasimuddin,Biswas, Amit,Paira, Rupankar,Mandal, Swadhin K.

, p. 7242 - 7255 (2021/05/29)

Dehalogenative deuteration reactions are generally performed through metal-mediated processes. This report demonstrates a mild protocol for hydrodehalogenation and dehalogenative deuteration of aryl/heteroaryl halides (39 examples) using a reduced odd alternant hydrocarbon phenalenyl under transition metal-free conditions and has been employed successfully for the incorporation of deuterium in various biologically active compounds. The combined approach of experimental and theoretical studies revealed a single electron transfer-based mechanism.

Photocatalytic Water-Splitting Coupled with Alkanol Oxidation for Selective N-alkylation Reactions over Carbon Nitride

Xu, Yangsen,Zhang, Zhaofei,Qiu, Chuntian,Chen, Shaoqin,Ling, Xiang,Su, Chenliang

, p. 582 - 589 (2020/12/09)

Photocatalytic water splitting technology (PWST) enables the direct use of water as appealing “liquid hydrogen source” for transfer hydrogenation reactions. Currently, the development of PWST-based transfer hydrogenations is still in an embryonic stage. Previous reports generally centered on the rational utilization of the in situ generated H-source (electrons) for hydrogenations, in which photogenerated holes were quenched by sacrificial reagents. Herein, the fully-utilization of the liquid H-source and holes during water splitting is presented for photo-reductive N-alkylation of nitro-aromatic compounds. In this integrate system, H-species in situ generated from water splitting were designed for nitroarenes reduction to produce amines, while alkanols were oxidized by holes for cascade alkylating of anilines as well as the generated secondary amines. More than 50 examples achieved with a broad range scope validate the universal applicability of this mild and sustainable coupling approach. The synthetic utility of this protocol was further demonstrated by the synthesis of existing pharmaceuticals via selective N-alkylation of amines. This strategy based on the sustainable water splitting technology highlights a significant and promising route for selective synthesis of valuable N-alkylated fine chemicals and pharmaceuticals from nitroarenes and amines with water and alkanols.

Reductive Alkylation of Azides and Nitroarenes with Alcohols: A Selective Route to Mono- And Dialkylated Amines

Borthakur, Ishani,Joshi, Abhisek,Kundu, Sabuj,Maji, Milan

, (2021/12/27)

Herein, we demonstrated an efficient protocol for reductive alkylation of azides/nitro compounds via a borrowing hydrogen (BH) method. By following this protocol, selective mono- and dialkylated amines were obtained under mild and solvent-free conditions. A series of control experiments and deuterium-labeling experiments were performed to understand this catalytic process. Mechanistic studies suggested that the Ir(III)-H was the active intermediate in this reaction. KIE study revealed that the breaking of the C-H bond of alcohol might be the rate-limiting step. Notably, this solvent-free strategy disclosed a high TON of around 5600. Based on kinetic studies and control experiments, a metal-ligand cooperative mechanism was proposed.

A highly efficient Co-based catalyst fabricated by coordination-assisted impregnation strategy towards tandem catalytic functionalization of nitroarenes with various alcohols

Li, Guangming,Li, Jingfang,Li, Weizuo,Li, Xuewei,Li, Zhibin,Mao, Guijie,She, Wei,Wang, Jing

, p. 462 - 474 (2021/11/11)

A well-defined hexamethylenetetramine (abbreviated as HMTA) based two-dimensional (2D) MOFs metalloligand (termed Zn-HMTA), with free uncoordinated tertiary amine groups, has been synthesized via solution diffusion method for the first time. The crystal structure of 2D Zn-HMTA metalloligand was determined by the single crystal X-ray diffraction (SCXRD). The SCXRD and X-ray photoelectron spectroscopy (XPS) analyses have revealed that the 2D Zn-HMTA metalloligand is rich in- free tertiary amine groups, which are of strong coordination ability to transition metal ions (e.g. Ni2+, Co2+, Zn2+, Cu2+). As a result, a 2D bimetallic Co@Zn-HMTA MOFs was synthesized via coordination-assisted impregnation (CAI) strategy attributed to the unique feature of strong coordinated ability of free tertiary amine groups. Furthermore, a series of self-supported Co-ZnO-CN nanocatalysts were afforded upon the as-synthesized Co@Zn-HMTA MOFs served as a self-sacrificial template for pyrolysis at different temperatures. The optimized catalyst (termed as Co-ZnO@CN-CAI) demonstrated the excellent catalytic performance for hydrogenation-alkylation tandem reaction in comparison with the classic ZnO@CN composite (derived from Zn-HMTA MOFs) supported metallic Co catalyst (Co-ZnO@CN-IWI) prepared by incipient wetness impregnation method. Moreover, the kinetic study was also performed to confirm that the alkylation is the rate-determining step in the hydrogenation-alkylation tandem reaction. The origin of enhanced catalytic performance of Co-ZnO@CN-CAI and the role of Co@Zn-HMTA MOFs precursor have been explored by way of various characterizations, e.g. HADDF-STEM-EDS, SEM-EDS, 13C MAS NMR, XRD, Raman and XPS, etc. It is anticipated that the prepared low-cost and easily prepared 2D Zn-HMTA metalloligand will become a general template for synthesis of highly self-supported catalysts with coordination-assisted impregnation strategy (CAI) for various catalytic reactions.

Copper(I)–creatine complex on magnetic nanoparticles as a green catalyst for N- and O-arylation in deep eutectic solvent

Bagheri, Sepideh,Heydari, Akbar,Pazoki, Farzane,Radfar, Iman

, (2020/01/22)

Immobilization of copper(I) ions on magnetic nanoparticles was performed using surface modification of Fe3O4 with creatine. Fe3O4?creatine-Cu(I) magnetic catalyst was synthesized and applied in C&bond;X cross-coupling reactions with aryl halides in a deep eutectic as a green solvent. The results indicate the Fe3O4?creatine-Cu(I) magnetic nanoparticles showed excellent activity and high stability. In addition, it was revealed that this catalyst can be recycled five times without significant loss in catalytic activity.

N -Arylation of (hetero)arylamines using aryl sulfamates and carbamates via C-O bond activation enabled by a reusable and durable nickel(0) catalyst

Dindarloo Inaloo, Iman,Majnooni, Sahar,Eslahi, Hassan,Esmaeilpour, Mohsen

, p. 13266 - 13278 (2020/10/07)

An effective and general aryl amination protocol has been developed using a magnetically recoverable Ni(0) based nanocatalyst. This new stable catalyst was prepared on Fe3O4@SiO2 modified by EDTA and investigated by FT-IR, EDX, TEM, XRD, DLS, FE-SEM, XPS, NMR, TGA, VSM, ICP and elemental analysis techniques. The reaction proceeded via carbon-oxygen bond cleavage of (hetero)aryl carbamates and sulfamates under simple and mild conditions without the use of any external ligands. This method demonstrated functional group tolerance in the N-arylation of various nitrogen-containing compounds as well as aliphatic amines, anilines, pyrroles, pyrazoles, imidazoles, indoles, and indazoles with good to excellent yields. Furthermore, the catalyst could be easily recovered by using an external magnetic field and directly reused at least six times without notable reduction in its activity. This journal is

C–N Cross-coupling Reactions of Amines with Aryl Halides Using Amide-Based Pincer Nickel(II) Catalyst

Albkuri, Yahya M.,RanguMagar, Ambar B.,Brandt, Andrew,Wayland, Hunter A.,Chhetri, Bijay P.,Parnell, Charlette M.,Szwedo, Peter,Parameswaran-Thankam, Anil,Ghosh, Anindya

, p. 1669 - 1678 (2019/12/27)

Abstract: An approach to C–N cross-coupling reactions of aryl halides with amines in the presence of an amide-based pincer nickel(II) catalyst (2) is described. For 3?h reactions at 110?°C with 0.2?mol% catalyst, aryl bromides gave higher turnover numbers (TON) than the corresponding chlorides or iodides. Both primary and secondary amines could be used with the former giving higher TON. However, sterically hindered amines showed lower TON. In elucidating the mechanism of this nickel complex-catalyzed C–N cross coupling reaction it was found that the rate of reaction was unchanged in the presence of radical quenchers and a plausible Ni(I)–Ni(III) pathway is proposed. Graphic Abstract: [Figure not available: see fulltext.]Nickel pincer catalyst proved to be excellent catalyst for the C-N cross-coupling reaction with the high turnover number (TON) for 1° and 2° amines and different nonactivated aryl halides under optimum conditions.

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