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N-Isopropylaniline, also known as α-Methyl-N-isopropylaniline, is an organic compound that serves as a chemical intermediate and is used in the dyeing of acrylic fibers. It is a clear light yellow liquid with specific applications across various industries.

768-52-5

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768-52-5 Usage

Uses

Used in Chemical Industry:
N-Isopropylaniline is used as a chemical intermediate for the synthesis of various compounds and materials. Its role as an intermediate is crucial in the production of different chemicals that find applications in multiple sectors.
Used in Textile Industry:
N-Isopropylaniline is used as a dyeing agent for acrylic fibers. Its ability to impart color and enhance the appearance of textiles makes it a valuable component in the dyeing process, contributing to the aesthetic and functional properties of the final product.
Used in Agricultural Industry:
N-Isopropylaniline is a microbial metabolite of Propachlor, an acylanilide herbicide. It plays a role in maintaining crop protection by helping to control weed growth, which is essential for ensuring the health and productivity of crops. Additionally, it is involved in inducing Glutathione-dependent cytotoxicity and sister chromatid exchanges in human cells, which can have implications for the study of herbicide effects on human health and the environment.

Synthesis Reference(s)

The Journal of Organic Chemistry, 28, p. 3259, 1963 DOI: 10.1021/jo01046a537Tetrahedron, 52, p. 9777, 1996 DOI: 10.1016/0040-4020(96)00503-0

Air & Water Reactions

Insoluble in water.

Reactivity Profile

N-Isopropylaniline 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.

Hazard

Toxic by inhalation and skin absorption.

Health Hazard

N-isopropylaniline absorption causes methemoglobinemia in animals, and the same effect is expected in humans.

Fire Hazard

N-Isopropylaniline is combustible.

Check Digit Verification of cas no

The CAS Registry Mumber 768-52-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,6 and 8 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 768-52:
(5*7)+(4*6)+(3*8)+(2*5)+(1*2)=95
95 % 10 = 5
So 768-52-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3

768-52-5 Well-known Company Product Price

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  • Alfa Aesar

  • (L10646)  N-Isopropylaniline, 98%   

  • 768-52-5

  • 10g

  • 402.0CNY

  • Detail
  • Alfa Aesar

  • (L10646)  N-Isopropylaniline, 98%   

  • 768-52-5

  • 50g

  • 1389.0CNY

  • Detail
  • Sigma-Aldrich

  • (31576)  N-Isopropylaniline  PESTANAL®, analytical standard

  • 768-52-5

  • 31576-1G

  • 329.94CNY

  • Detail

768-52-5SDS

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-Isopropylaniline

1.2 Other means of identification

Product number -
Other names Benzenamine, N-(1-methylethyl)-

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:768-52-5 SDS

768-52-5Relevant academic research and scientific papers

Efficient reductive alkylation of aniline with acetone over Pt nanoparticles encapsulated in hollow porous carbon

Harada, Takashi,Ikeda, Shigeru,Okamoto, Natsumi,Ng, Yun Hau,Higashida, Suguru,Torimoto, Tsukasa,Matsumura, Michio

, p. 948 - 949 (2008)

Reductive alkylation of aniline with acetone over various Pt catalysts was studied under atmospheric pressure of hydrogen at room temperature. It was found that our newly designed Pt catalyst, i.e., Pt nanoparticles encapsulated in hollow porous carbon, showed excellent catalytic activity in comparison with activities of other Pt catalysts. Moreover, one-pot reductive alkylation of nitrobenzene with acetone proceeded smoothly over the catalyst. Copyright

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.

Iron-promoted dealkylative carbene aminocyclization of δ-arylamino-α-diazoesters

Solé, Daniel,Amenta, Arianna,Campos, Cristina,Fernández, Israel

, p. 2167 - 2176 (2021/02/26)

Herein, we report a novel methodology to accessN-aryl proline derivatives using amino-tethered α-diazoesters and cheap, readily available iron salts. Mechanistically, the aminocyclization reaction involves the initial formation of an iron-carbene complex followed by a nucleophilic attack of the aniline nitrogen atom to give an ammonium ylide intermediate, which finally undergoes the iron-promoted dealkylation.

The synthesis and structure of an amazing and stable carbonized material Cu-PC@OFM and its catalytic applications in water with mechanism explorations

Tian, An-Qi,Luo, Xiang-Hao,Ren, Zhi-Lin,Zhao, Jun,Wang, Long

supporting information, p. 9614 - 9620 (2021/06/12)

An amazing and stable carbonized octahedral frame material Cu-PC@OFM was synthesized and characterized through HRTEM, SEM, XRD, XPS, and Raman spectroscopy and nitrogen adsorption/desorption analysis. In particular, the carbon matrix carrier loaded with nano-copper not only maintains the original structure, but also the nano copper particles generatedin situsignificantly improve the catalytic performance and stability. It was disclosed that the copper-based catalyst material Cu-PC@OFM showed high catalytic activity in the borrowing hydrogen reaction and the synthesis of 1-benzyl-2-aryl-1H-benzo[d]imidazole derivatives with high yields in water. This copper catalytic system provided a much greener and efficient catalyst for the synthesis of functionalized amines and 1-benzyl-2-aryl-1H-benzo[d]imidazoles with good recovery performance in water, which was the first example for the Cu-PC@OFM material-catalyzed synthesis of 1-benzyl-2-aryl-1H-benzo[d]imidazoles. In addition, a plausible reaction mechanism was proposed through some condition control experiments, deuterium labeling experiments and separation of intermediates experiments.

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.

Visible light-induced oxidative: N -dealkylation of alkylamines by a luminescent osmium(vi) nitrido complex

Cheng, Shun-Cheung,Jin, Xin-Xin,Ko, Chi-Chiu,Lau, Kai-Chung,Lau, Tai-Chu,Luo, Li-Juan,Man, Wai-Lun,Pan, Yi,Peng, Min,Xiang, Jing,Yiu, Shek-Man

, p. 14494 - 14498 (2021/11/17)

N-Dealkylation of amines by metal oxo intermediates (MO) is related to drug detoxification and DNA repair in biological systems. In this study, we report the first example of N-dealkylation of various alkylamines by a luminescent osmium(vi) nitrido complex induced by visible light. This journal is

A Highly Dispersed Copper Nanoparticles Catalyst with a Large Number of Weak Acid Centers for Efficiently Synthesizing the High Value-Added 3-Methylindole by Aniline and Biomass-Derived Glycerin

Sun, Pinghui,Lin, Shuyi,Guo, Huimei,Su, Jianhui,Shi, Lei

, p. 463 - 477 (2020/07/16)

Abstract: An excellent catalyst with a large number of weak acid centers and highly dispersed copper nanoparticles embedded in mesoporous SBA-15 carrier was successfully constructed for the purpose of efficient conversion of aniline with biomass-derived glycerin to the high value-added 3-methylindole, in which the catalyst of Cu/SBA-15 was modified with Al2O3, La2O3 and CoO in sequence. The modified carrier and the copper-based catalysts were studied by scanning electron microscopy and energy-dispersive X-ray (SEM–EDX) spectroscopy, nitrogen physical adsorption, ammonia temperature programmed desorption (NH3-TPD), hydrogen temperature programmed reduction (H2-TPR), powder X-ray diffraction (XRD), transmission electron microscopy (TEM), thermogravimetric and differential thermal analysis (TG–DTA) and inductively coupled plasma (ICP) emission spectroscopy. The research found that the Cu/CoO/La2O3/Al2O3/SBA-15 catalyst exhibited a very good catalytic performance with 3-methylindole yield up to 73.3% and selectivity reaching 86.4%. Besides, only a 3.9% yield decreased after the catalyst was circulated seven times. The characterizations revealed that Al2O3 could enhance the polarity of the carrier, thereby the interaction between the active component and the composite carrier was strengthened and the dispersion of copper was increased significantly. Adding La2O3 to Cu/SBA-15-Al2O3 could weaken the acidity and inhibit the formation of carbon deposits. CoO promoter could increase the number of weak acid centers, which was conducive to a good dispersion of active component and the high selectivity of 3-methylindole. Furthermore, the reaction pathway of gas-phase synthesis of 3-methylindole from glycerin and aniline on Cu/CoO/La2O3/Al2O3/SBA-15 was explored. Graphic Abstract: [Figure not available: see fulltext.]

Reductive amination of ketones/aldehydes with amines using BH3N(C2H5)3as a reductant

Zou, Qizhuang,Liu, Fei,Zhao, Tianxiang,Hu, Xingbang

supporting information, p. 8588 - 8591 (2021/09/04)

Herein, we report the first example of efficient reductive amination of ketones/aldehydes with amines using BH3N(C2H5)3 as a catalyst and a reductant under mild conditions, affording various tertiary and secondary amines in excellent yields. A mechanistic study indicates that BH3N(C2H5)3 plays a dual function role of promoting imine and iminium formation and serving as a reductant in reductive amination. This journal is

CO2-tuned highly selective reduction of formamides to the corresponding methylamines

Chao, Jianbin,Guo, Zhiqiang,Pang, Tengfei,Wei, Xuehong,Xi, Chanjuan,Yan, Leilei

supporting information, p. 7534 - 7538 (2021/10/12)

We herein describe an efficient, CO2-tuned and highly selective C-O bond cleavage of N-methylated formanilides. With easy-to-handle and commercially available NaBH4 as the reductant, a variety of formanilides could be turned into the desired tertiary amines in moderate to excellent yields. The role of CO2 has been investigated in detail, and the mechanism is proposed on the basis of experiments.

Highly Efficient and Selective N-Alkylation of Amines with Alcohols Catalyzed by in Situ Rehydrated Titanium Hydroxide

Khodakov, Andrei Y.,Kusema, Bright T.,Niu, Feng,Ordomsky, Vitaly V.,Wang, Qiyan,Yan, Zhen

, p. 3404 - 3414 (2020/03/23)

Catalytic N-alkylation of amines by alcohols to produce desired amines is an important catalytic reaction in industry. Various noble-metal-based homogeneous and heterogeneous catalysts have been reported for this process. The development of cheap non-noble-metal heterogeneous catalysts for the N-alkylation reaction would be highly desirable. Hereby, we propose the N-alkylation of amines by alcohols over a cheap and efficient heterogeneous catalyst-titanium hydroxide. This catalyst provides a selectivity higher than 90% to secondary amines for functionalized aromatic and aliphatic alcohols and amines with high catalytic activity and stability. Mild Br?nsted acidity formed by the continuous rehydration of Lewis acidity excludes the side reactions and deactivation by adsorbed species. The mechanism of the reaction involves dehydration of alcohols to ethers with subsequent C-O bond cleavage by amine with the formation of secondary amine and recovery of alcohol.

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