50445-53-9

Basic information

• Product Name: N-isopropyl-3-nitrobenzamide
• Synonyms: N-isopropyl-3-nitrobenzamide
• CAS NO: 50445-53-9
• Molecular Formula: C₁₀H₁₂N₂O₃
• Molecular Weight: 208.21388
• Mol File: 50445-53-9.mol
• Article Data: 9

Chemical Properties

• Melting Point: 131-131.5 °C
• Boiling Point: 367.1°Cat760mmHg
• Flash Point: 175.8°C
• Appearance: /
• Density: 1.189g/cm³
• Vapor Pressure: 1.4E-05mmHg at 25°C
• Refractive Index: 1.548
• Storage Temp.: 2-8°C
• PKA: 13.71±0.46(Predicted)
• CAS DataBase Reference: N-isopropyl-3-nitrobenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-isopropyl-3-nitrobenzamide(50445-53-9)
• EPA Substance Registry System: N-isopropyl-3-nitrobenzamide(50445-53-9)

Safety Data

• Hazardous Substances Data: 50445-53-9(Hazardous Substances Data)

Usage

Description

N-isopropyl-3-nitrobenzamide is a chemical compound with the molecular formula C10H12N2O3. It is an amide derivative of 3-nitrobenzoic acid and contains a nitro group and an isopropyl group. N-isopropyl-3-nitrobenzamide is utilized in the pharmaceutical and chemical industries, primarily serving as an intermediate in the synthesis of other organic compounds.

Uses

Used in Pharmaceutical Industry:
N-isopropyl-3-nitrobenzamide is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows it to be a key component in the development of new drugs and medications.
Used in Chemical Industry:
In the chemical industry, N-isopropyl-3-nitrobenzamide is used as an intermediate in the production of other organic compounds. Its versatility in chemical reactions makes it a valuable asset in creating a range of different chemical products.
Safety and Handling:
It is important to handle N-isopropyl-3-nitrobenzamide with care, as it may pose hazards to human health and the environment. Proper storage and disposal methods should be followed to prevent any potential risks associated with its use.

InChI:InChI=1/C10H12N2O3/c1-7(2)11-10(13)8-4-3-5-9(6-8)12(14)15/h3-7H,1-2H3,(H,11,13)

Upstream product

• 99-08-1 1-methyl-3-nitrobenzene 
• 75-31-0 isopropylamine 
• 32578-25-9 trifluoromethanesulfonic acid 3-nitrophenyl ester 
• 693-13-0 diisopropyl-carbodiimide 
• 585-79-5 m-nitrobromobenzene 
• 645-00-1 m-iodonitrobenzene 
• 16741-46-1 N-isopropylformamide 
• 121-92-6 3-nitrobenzoic acid 
• 121-90-4 m-nitrobenzoic acid chloride 
• 19172-47-5 Lawessons reagent 

Downstream Products

• 81882-62-4 3-amino-N-isopropyl-benzamide 
• 1373443-18-5 (E)-3-[3-(4-adamantan-1-yl-phenoxy)-acryloylamino]-N-isopropyl-benzamide 

Relevant articles and documents

CuO-decorated magnetite-reduced graphene oxide: a robust and promising heterogeneous catalyst for the oxidative amidation of methylarenes in waterviabenzylic sp3C-H activation

A magnetite-reduced graphene oxide-supported CuO nanocomposite (rGO/Fe3O4-CuO) was preparedviaa facile chemical method and characterized by Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), UV-vis spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), Brunauer-Emmett-Teller (BET) analysis, vibrating-sample magnetometry (VSM), and thermogravimetric (TG) analysis. The catalytic activity of the rGO/Fe3O4-CuO nanocomposite was probed in the direct oxidative amidation reaction of methylarenes with free amines. Various aromatic and aliphatic amides were prepared efficiently at room temperature from cheap raw chemicals usingtert-butyl hydroperoxide (TBHP) as a “green” oxidant and low-toxicity TBAI in water. This method combines the oxidation of methylarenes and amide bond formation into a single operation. Moreover, the synthesized nanocomposites can be separated from the reaction mixtures using an external magnet and reused in six consecutive runs without a noticeable decrease in the catalytic activity.

Adamantane styrene derivatives, and preparation method and application thereof

The invention discloses adamantane styrene derivatives and analysis of the biological activity of the adamantane styrene derivatives. According to the invention, a synthesized compound retains an adamantane structure, an adamantane ring structure is conne

Palladium-Catalyzed Aminocarbonylation of Aryl Halides with 2,4,6-Trichloro-1,3,5-triazine/Formamide Mixed Reagent

In this work, the mixture of formamide and 2,4,6-trichloro-1,3,5-triazine (cyanuric chloride or TCT) is introduced as a new amidating agent in Pd-catalyzed aminocarbonylation of aryl halides. In the presence of a catalytic amount of palladium and TCT/formamide reagent, a range of aryl halides (X = Cl, Br, I) were converted into amides efficiently in N,N-dimethylformamide at 120 °C. The 2,4,6-trichloro-1,3,5-triazine/formamide mixed reagent was found to be an efficient amidating agent in Pd-catalyzed aminocarbonylation of aryl halides. In the presence of this reagent and a catalytic amount of Pd, a range of amides were synthesized by using aryl halides.