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2',6'-DIMETHYLACETANILIDE, also known as 2,6-Dimethylacetanilide, is an organic compound derived from acetanilide through electrophilic substitution reaction. It is characterized by its off-white to yellow crystalline needles or crystalline powder appearance. 2',6'-DIMETHYLACETANILIDE is formed by the iodination of chloroacetanilide in the presence of ferroiodide and copper chloride as catalysts, resulting in 4-iodine-2,6-dimethylacetanilide.

2198-53-0

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2198-53-0 Usage

Uses

Used in Pharmaceutical Industry:
2',6'-DIMETHYLACETANILIDE is used as an impurity in the production of Lidocaine (L397800), a commonly used local anesthetic and antiarrhythmic medication. Its presence in the manufacturing process is essential for the synthesis of Lidocaine, which is widely utilized in medical and dental procedures to numb specific areas and prevent pain.
Additionally, 2',6'-DIMETHYLACETANILIDE may have potential applications in other industries, such as chemical research or material science, due to its unique chemical properties.

Synthesis Reference(s)

Journal of the American Chemical Society, 106, p. 5759, 1984 DOI: 10.1021/ja00331a073Chemical and Pharmaceutical Bulletin, 30, p. 4242, 1982 DOI: 10.1248/cpb.30.4242Journal of Heterocyclic Chemistry, 2, p. 181, 1965 DOI: 10.1002/jhet.5570020214

Safety Profile

Moderately toxic by ingestion.When heated to decomposition it emits toxic fumes ofNOx.

Check Digit Verification of cas no

The CAS Registry Mumber 2198-53-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,9 and 8 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 2198-53:
(6*2)+(5*1)+(4*9)+(3*8)+(2*5)+(1*3)=90
90 % 10 = 0
So 2198-53-0 is a valid CAS Registry Number.

2198-53-0 Well-known Company Product Price

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  • Alfa Aesar

  • (B25687)  2',6'-Dimethylacetanilide, 97%   

  • 2198-53-0

  • 25g

  • 396.0CNY

  • Detail
  • Alfa Aesar

  • (B25687)  2',6'-Dimethylacetanilide, 97%   

  • 2198-53-0

  • 100g

  • 938.0CNY

  • Detail
  • Sigma-Aldrich

  • (PHR1671)  2′,6′-Dimethylacetanilide (Lidocaine RCC)  pharmaceutical secondary standard

  • 2198-53-0

  • PHR1671-100MG

  • 5,749.38CNY

  • Detail

2198-53-0SDS

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-(2,6-dimethylphenyl)acetamide

1.2 Other means of identification

Product number -
Other names Acetamide,N-(2,6-dimethylphenyl)

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:2198-53-0 SDS

2198-53-0Relevant academic research and scientific papers

Synthesis of indenoquinolinone through aryne-mediated Pd(II)-catalysed remote C–H activation

Patel, Anuj P.,Shaikh, Mohammedumar M.,Gurjar, Kamlesh K.,Chikhalia, Kishor H.

, p. 2049 - 2061 (2021/02/01)

Abstract: [Figure not available: see fulltext.]Indenoquinolinones have been synthesized from 2-haloquinoline-3-carbaldehyde through Pd-mediated simultaneous C–H (aldehyde) and C–X bond activation. DFT studies were performed to investigate the mechanistic pathway, and in situ UV–Vis studies indicate the presence of Pd(II) intermediate species. Aryne ligated Pd complex is actual intermediate in these reactions. Ligation of reactive aryne to Pd reduces probability of side reactions. Graphic abstract: [Figure not available: see fulltext.]

Preparation and catalytic evaluation of a palladium catalyst deposited over modified clinoptilolite (Pd&at;MCP) for chemoselective N-formylation and N-acylation of amines

Amirsoleimani, Mina,Khalilzadeh, Mohammad A.,Zareyee, Daryoush

, (2020/08/22)

Novel palladium nanoparticles stabilized by clinoptilolite as a natural inexpensive zeolite prepared and used for N-formylation and N-acylation of amines at room temperature at environmentally benign reaction conditions in good to excellent yields. Pd (II) was immobilized on the surface of clinoptilolite via facile multi-step amine functionalization to obtain a sustainable, recoverable, and highly active nano-catalyst. The structural and morphological characterizations of the catalyst carried out using XRD, FT-IR, BET and TEM techniques. Moreover, the catalyst is easily recovered using simple filtration and reused for 7 consecutive runs without any loss in activity.

The immobilized copper species on nickel ferrite (NiFe2O4@Cu): a magnetically reusable nanocatalyst for one-pot and quick reductive acetylation of nitroarenes to N-arylacetamides

Zeynizadeh, Behzad,Shokri, Zahra,Mohammadzadeh, Iman

, p. 859 - 870 (2019/12/24)

In this study, a green protocol for synthesis of N-arylacetamides was introduced. Magnetically, nanoparticles of the immobilized copper species on nickel ferrite, NiFe2O4@Cu, were synthesized and then characterized using SEM, EDX, XRD, VSM, ICP-OES, BET and XPS analyses. The XPS analysis approved that the immobilized copper species on NiFe2O4 only contain Cu(0) and its oxide form as CuO. The prepared nanocomposite system represented a perfect catalytic activity toward one-pot and quick reductive acetylation of various nitroarenes to the corresponding N-arylacetamides. All reactions were carried out in a mixture of H2O–EtOH (1.5–0.5) within 2–10?min using the combination system of NaBH4 and Ac2O in a one-pot approach and via a two-step procedure. The utilized Cu nanocomposite was magnetically separated from the reaction mixture and reused for 5 consecutive cycles without the significant loss of its catalytic activity.

The immobilized Cu nanoparticles on magnetic montmorillonite (MMT?Fe3O4?Cu): As an efficient and reusable nanocatalyst for reduction and reductive-acetylation of nitroarenes with NaBH4

Zeynizadeh, Behzad,Rahmani, Soleiman,Tizhoush, Hengameh

, (2019/11/28)

In this study, the immobilization of copper nanoparticles on superparamagnetic montmorillonite, MMT?Fe3O4?Cu, was studied. Magnetically nanoparticles (MNPs) of iron oxide (Fe3O4) were primarily prepared by a chemical co-precipitation method. Next, the prepared Fe3O4 MNPs were intercalated within the interlamellar spaces and external surface of sodium-exchanged montmorillonite. Finally, Cu NPs were immobilized on magnetic montmorillonite by a simply mixing of an aqueous solution of CuCl2·2H2O with MMT?Fe3O4 followed by the reduction with NaBH4. Characterization of MMT?Fe3O4 clay system represented that through the immobilization of Fe3O4 MNPs, disordered-layers structure of MMT was easily reorganized to an ordered-layers arrangement. The synthesized composite systems were characterized using FT-IR, SEM, EDX, XRD, VSM, BET and ICP-OES analyses. SEM analysis exhibited that dispersion of Cu NPs, with the size distribution of 15–25 nm, on the surface of magnetic clay was taken place perfectly. BET surface analysis indicated that after the immobilization of Fe3O4 and Cu species, the surface area and total pore volume of MMT?Fe3O4?Cu system was decreased. Next, the Cu-clay nanocomposite system showed a perfect catalytic activity towards reduction of nitroarenes to anilines as well as reductive-acetylation of nitroarenes to acetanilides using NaBH4 and Ac2O in water as a green and economic solvent. The copper magnetic clay catalyst can be easily separated from the reaction mixture by an external magnetic field and reused for six consecutive cycles without the significant loss of its catalytic activity.

New half-sandwich (η6-p-cymene)ruthenium(II) complexes with benzothiazole hydrazone Schiff base ligand: Synthesis, structural characterization and catalysis in transamidation of carboxamide with primary amines

Vijayapritha, Subbarayan,Viswanathamurthi, Periasamy

supporting information, (2020/10/18)

Few half-sandwich (η6-p-cymene) ruthenium(II) complexes supported by benzothiazole hydrazone Schiff bases were synthesized. The new complexes possess the general formulae [Ru(η6-p-cymene)(L)Cl] (1-3) (L = salicyl((2-(benzothiazol-2-yl)hydrazono)methylphenol) (SAL-HBT), 2-((2-(benzothiazol-2-yl)hydrazono)methyl)-6 methoxyphenol) (VAN-HBT) or naphtyl-2-((2-(benzothiazol-2-yl)hydrazono)methyl phenol) (NAP-HBT). All compounds were fully studied by analytical, spectroscopic techniques (IR, NMR) and also by mass spectrometry. The solid state structure of the complex 3 reveals the coordination of p-cymene moieties with ruthenium(II) in a three-legged piano-stool geometry along with benzothiazole hydrazone Schiff base ligand in a monobasic bidentate fashion. The catalytic properties of the complexes were screened in transamidation of primary amide with amines after optimization with respect to solvent, substituents, time and catalyst loading. The results show that the complex 3 is the most efficient catalyst for the transamidation of carboxamides with amines.

Acylation of Phenols, Alcohols, Thiols, Amines and Aldehydes Using Sulfonic Acid Functionalized Hyper-Cross-Linked Poly(2-naphthol) as a Solid Acid Catalyst

Kalla, Reddi Mohan Naidu,Reddy, Sirigireddy Sudharsan,Kim, Il

, p. 2696 - 2705 (2019/05/28)

Abstract: The hyper-cross-linked porous poly(2-naphthol) fabricated by the Friedel–Crafts alkylation of 2-naphthol has been functionalized with sulfonic acid to obtain a solid acid catalyst. The catalyst is applied for the protection of phenol, alcohols, thiols, amines and aldehydes with acetic anhydride at room temperature. The catalytic protection using the new solid acid is featured by achieving high yield at neat condition, needing no aqueous work-up and/or chromatographic separation, and showing excellent recycling efficiency, suggesting the potential of this sulfonated porous polymers as a new protection protocol in a wide range of sustainable chemical reactions. Graphical Abstract: [Figure not available: see fulltext.].

The immobilized Ni(II)-thiourea complex on silica-layered copper ferrite: A novel and reusable nanocatalyst for one-pot reductive-acetylation of nitroarenes

Zeynizadeh, Behzad,Shokri, Zahra,Hasanpour Galehban, Morteza

, (2019/01/16)

In this study, magnetically nanoparticles of CuFe2O4@SiO2@PTMS@Tu@Ni(II) as novel and reusable catalyst were prepared. Synthesis of the Ni (II)-nanocatalyst was carried out through the complexation of Ni(OAc)2·4H2O with the immobilized thiourea on silica-layered CuFe2O4. The prepared nanocomposite system was then characterized using SEM, EDX, XRD, VSM, ICP-OES, Raman, UV–Vis and FT-IR analyses. Catalytic activity of the Ni(II)-CuFe2O4 system was investigated towards rapid reduction of aromatic nitro compounds to arylamines with sodium borohydride as well as one-pot reductive-acetylation of nitroarenes to acetanilides with NaBH4/Ac2O system without the isolation of intermediate arylamines. All reactions were carried out in H2O within 3–7?min to afford the products arylamines/acetanilides in high to excellent yields. Reusability of the Ni(II)-nanocatalyst was examined for seven consecutive cycles without the significant loss of the catalytic activity.

Structure-activity relationships for highly potent half-sandwich organoiridium(III) anticancer complexes with C^N-chelated ligands

Yang, Yuliang,Guo, Lihua,Ge, Xingxing,Shi, Shaopeng,Gong, Yuteng,Xu, Zhishan,Zheng, Xiaofeng,Liu, Zhe

, p. 1 - 7 (2018/11/23)

We herein report the synthesis, characterization, catalytic ability in converting coenzyme NADH to NAD+ and anticancer activity of half-sandwich iridium(III) complexes, [(η5-Cpxbiph)Ir(C^N)Cl]PF6 ?, where Cpxbiph = tetramethyl(biphenyl)cyclopentadienyl, C^N = varying imine-N-heterocyclic carbene ligands. The molecular structure of [(η5-Cpxbiph)Ir(L6)Cl]PF6 (complex Ir6), exhibiting the familiar “piano-stool” geometry, has been authenticated by X-ray crystallography. The anticancer activities of these complexes can be governed via substituent effects of three tunable domains and the ligand substituted variants offer an effective chelate ligand set that distinguishes anticancer activity and catalytic ability. Notably, complex Ir6 displays the greatest cytotoxic activities (IC50 = 0.85 μM), whose anticancer activity is more approximately 25-fold higher than that of cisplatin. The initial cell death mechanistic insight displays that this group of iridium(III) complexes exerts anticancer effects via cell cycle arrest, apoptosis induction and loss of the mitochondrial membrane potential. In addition, the confocal microscopy imaging shows that the complex Ir6 can damage lysosome. Overall, preliminary structure–activity relationships study and understanding of the cell death mechanism perhaps provide a rational strategy for enhancing anticancer activity of this family of complexes.

Synthesis of magnetic Fe3O4@SiO2@Cu–Ni–Fe–Cr LDH: an efficient and reusable mesoporous catalyst for reduction and one-pot reductive-acetylation of nitroarenes

Gilanizadeh, Masumeh,Zeynizadeh, Behzad

, p. 2821 - 2837 (2018/10/31)

Abstract: Magnetically recoverable Fe3O4@SiO2@Cu–Ni–Fe–Cr LDH was prepared under co-precipitation conditions. Characterization of the mesoporous catalyst was confirmed using Fourier-transformed infrared spectroscopy, scanning electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, vibration sample magnetometer, Brunauer–Emmett–Teller, thermogravimetric, differential thermogravimetric analyses and transmission electron microscopy. Reduction of nitroarenes to the corresponding arylamines and one-pot reductive-acetylation of nitroarenes to acetanilides were carried out successfully by nanoparticles of the immobilized Cu–Ni–Fe–Cr layered double hydroxide on silica-coated Fe3O4 in water as a green solvent. All reactions were carried out within 6–22?min affording arylamines and N-arylacetamides in high-to-excellent yields. Reusability of the core–shell nanocatalyst was examined six times without significant loss of its catalytic activity.

Sulfonium Salts as Alkylating Agents for Palladium-Catalyzed Direct Ortho Alkylation of Anilides and Aromatic Ureas

Simkó, Dániel Cs.,Elekes, Péter,Pázmándi, Vivien,Novák, Zoltán

, p. 676 - 679 (2018/02/09)

A novel method for the ortho alkylation of acetanilide and aromatic urea derivatives via C-H activation was developed. Alkyl dibenzothiophenium salts are considered to be new reagents for the palladium-catalyzed C-H activation reaction, which enables the transfer of methyl and other alkyl groups from the sulfonium salt to the aniline derivatives under mild catalytic conditions.

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