4406-41-1

Basic information

• Product Name: 2-METHYL-N-PHENYL-PROPANAMIDE
• Synonyms: 2-METHYL-N-PHENYL-PROPANAMIDE;2-Methyl-N-phenylpropionamide;N-Phenyl-2-methylpropanamide;N-Phenyl-2-methylpropionamide;N-Phenylisobutyramide;PropanaMide, 2-Methyl-N-phenyl-
• CAS NO: 4406-41-1
• Molecular Formula: C₁₀H₁₃NO
• Molecular Weight: 163.2163
• Mol File: 4406-41-1.mol
• Article Data: 86

Chemical Properties

• Boiling Point: 317.8°Cat760mmHg
• Flash Point: 185.8°C
• Appearance: /
• Density: 1.046g/cm³
• Vapor Pressure: 0.000375mmHg at 25°C
• Refractive Index: 1.551
• CAS DataBase Reference: 2-METHYL-N-PHENYL-PROPANAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYL-N-PHENYL-PROPANAMIDE(4406-41-1)
• EPA Substance Registry System: 2-METHYL-N-PHENYL-PROPANAMIDE(4406-41-1)

Safety Data

• Hazardous Substances Data: 4406-41-1(Hazardous Substances Data)

Usage

General Description

2-Methyl-N-phenyl-propanamide is a chemical compound used in the production of pharmaceuticals and other organic substances. It is a white to off-white crystalline solid with a molecular formula of C11H15NO. 2-METHYL-N-PHENYL-PROPANAMIDE is classified as an amide, which is a derivative of a carboxylic acid. Its primary use is as an intermediate in the synthesis of various pharmaceuticals, such as anti-inflammatory and analgesic drugs. Additionally, it can also be utilized as a precursor in the production of other organic compounds, such as dyes and pigments. However, it is important to handle and store this chemical with care, as it may present risks to human health and the environment if not properly managed.

InChI:InChI=1/C10H13NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)

Upstream product

• 14016-34-3 N-(2-methyl-1-propenylidene)aniline 
• 861356-33-4 3,3,7,7,10,10-hexamethyl-[1,5]dioxecane-2,4,6,8,10-pentaone 
• 62-53-3 aniline 
• 1068-55-9 isopropylmagnesium chloride 
• 103-71-9 phenyl isocyanate 
• 920-39-8 isopropylmagnesium bromide 
• 79-30-1 isobutyryl chloride 
• 933-52-8 2,2,4,4-tetramethyl-1,3-cyclobutanedione 
• 60-29-7 diethyl ether 
• 598-26-5 dimethylketene 
• 563-83-7 ISOPROPYLAMIDE 
• 14088-58-5 3-diazo-2-butanone 
• 5447-64-3 diethyl 3,3-dimethyl-2-ketosuccinate 
• 79-31-2 isobutyric Acid 

Downstream Products

• 50737-95-6 N-phenyl-isobutyrimidoyl chloride 
• 114063-95-5 N-isobutyryl-sulfanilyl chloride 
• 50993-22-1 α-chloro-N-phenyl-isobutyrimidoyl chloride 
• 7160-08-9 N-(4-bromophenyl)isobutyramide 
• 77893-70-0 bis-(4-isobutyrylamino-phenyl)-disulfide 
• 4834-64-4 N,N'-diphenyl-isobutyramidine 
• 13182-64-4 2-Isopropyl-3H-quinazolin-4-one 
• 4365-53-1 2-isopropylidene-3-phenyl-oxazolidine-4,5-dione 
• 14016-34-3 N-(2-methyl-1-propenylidene)aniline 
• 5833-38-5 Isobutyryl-phenyl-carbamic acid isopropyl ester 
• 121190-24-7 (E)-2-butenyl N-phenyl-2-methylpropanimidate 
• 121190-25-8 3-methyl-2-butenyl N-phenyl-2-methylpropanimidate 
• 66418-07-3 5-isopropyl-1-phenyl-1H-tetrazole 
• 7113-66-8 methyl-2 N-phenyl propanethioamide 

Relevant articles and documents

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Ethyl 2-Cyano-2-(2-nitrobenzenesulfonyloxyimino) Acetate (ortho-NosylOXY)-Mediated Double Beckmann Rearrangement of Ketoximes under Microwave Irradiation: A Mechanistic Perception

A method for Beckmann rearrangement using ethyl 2-cyano-2-(2-nitrobenzenesulfonyloxyimino) acetate (o-NosylOXY) under microwave irradiation is reported. Ketoximes (19 examples) are converted to the corresponding amides/lactams with 69–97% yields in ～10 minutes without any Lewis acid or co-catalyst. This is an example of halogen-free organocatalytic Beckmann rearrangement. Nuclear magnetic resonance (NMR)- and high-resolution mass spectrometry (HRMS)-based detailed mechanistic investigation suggest that o-NosylOXY acts as an initiator. Such initiators are reported before based on density functional theory (DFT) calculations. However, we report here the HRMS signatures of two transient intermediates, the nitrilium ion and the nitrilium ion's dimeric species. Rigorous NMR-based investigation of the reaction mechanism is performed. Our results indicate that the reported Beckmann rearrangement proceeds via two consecutive rearrangements. (Figure presented.).

An Environmentally Benign, Catalyst-Free N?C Bond Cleavage/Formation of Primary, Secondary, and Tertiary Unactivated Amides

Herein, we report an operationally simple, cheap, and catalyst-free method for the transamidation of a diverse range of unactivated amides furnishing the desired products in excellent yields. This protocol is environmentally friendly and operates under extremely mild conditions without using any promoter or additives. Significantly, this strategy has been implied in the chemoselective synthesis of a pharmaceutical molecule, paracetamol, on a gram-scale with excellent yield. We anticipate that this universally applicable strategy will be of great interest in drug discovery, biochemistry, and organic synthesis.

Visible-light induced one-pot hydrogenation and amidation of nitroaromatics with carboxylic acids over 2D MXene-derived Pt/N-TiO2/Ti3C2

Pt nanoparticles supported on N doped titanium dioxide/titanium carbide (MXene) heterojunctions were employed as photocatalysts for the tandem reactions between aromatic nitro compounds and carboxylic acids to produce amide products. The 3%Pt/N-TiO2/Ti3C2 heterojunction was prepared by in situ grew TiO2 on Ti3C2 nanosheets and then N doped TiO2 with melamine, Pt nanoparticles with 3.3 nm mean diameter well dispersed on N-TiO2/Ti3C2. 3%Pt/N-TiO2/Ti3C2 had excellent amidation activity and chemoselectivity under visible-light irradiation. The elevated catalytic performance of 3%Pt/N-TiO2/Ti3C2 was owing to the improvement in photogenerated electron and hole separation efficiency through charge short-range directional transmission caused by the intimate contact between the TiO2 and the conductive Ti3C2. This direct hydrogenation along with amidation between nitroaromatics and carboxylic acids own actual merits in the amides produce with no harmful byproducts. In situ DRIFTS spectra verified that the amidation activation with visible light irradiation at 25 °C was much faster than heating.