459218-95-2

Basic information

• Product Name: 3-Fluoro-N-isopropylbenzamide
• Synonyms: 3-Fluoro-N-isopropylbenzamide;N-Isopropyl 3-fluorobenzamide
• CAS NO: 459218-95-2
• Molecular Formula: C₁₀H₁₂FNO
• Molecular Weight: 181.2067832
• Mol File: 459218-95-2.mol

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-Fluoro-N-isopropylbenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Fluoro-N-isopropylbenzamide(459218-95-2)
• EPA Substance Registry System: 3-Fluoro-N-isopropylbenzamide(459218-95-2)

Safety Data

• Hazardous Substances Data: 459218-95-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical and Medical Research:
3-Fluoro-N-isopropylbenzamide is used as a research chemical for exploring its potential pharmacological effects and biological properties. Its structural similarity to paracetamol and the presence of a fluorine atom may contribute to unique interactions with biological targets, warranting further investigation into its therapeutic potential.
Used in Drug Development:
3-Fluoro-N-isopropylbenzamide may be employed as a lead compound in drug development, given its potential pharmacological effects. Its properties could be optimized through medicinal chemistry approaches to enhance its therapeutic efficacy and safety profile, ultimately leading to the development of new drugs for various medical conditions.
Used in Chemical Synthesis:
3-Fluoro-N-isopropylbenzamide, being a benzamide derivative, can be used as a starting material or intermediate in the synthesis of other related compounds. Its reactivity and functional groups may facilitate the preparation of novel chemical entities with potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science.

Upstream product

• 75-31-0 isopropylamine 
• 1711-07-5 3-fluorobenzoyl chloride 

Downstream Products

• 1259161-69-7 C₁₀H₁₁ClFNO 
• 1259161-68-6 C₁₀H₁₁ClFNO 
• 1259161-72-2 C₁₀H₁₀Cl₂FNO 

Relevant articles and documents

Photocatalysis in Aqueous Micellar Media Enables Divergent C-H Arylation and N-Dealkylation of Benzamides

Photocatalysis in aqueous micellar media has recently opened wide avenues to activate strong carbon-halide bonds. So far, however, it has mainly explored strongly reducing conditions, restricting the available chemical space to radical or anionic reactivity. Here, we demonstrate a controllable, photocatalytic strategy that channels the reaction of chlorinated benzamides via either a radical or a cationic pathway, enabling a chemodivergent C-H arylation or N-dealkylation. The catalytic system operates under mild conditions with methylene blue as a photocatalyst and blue LEDs as the light source. Factors determining the reactivity of substrates, their selectivity, and preliminary mechanistic studies are presented.

Towards a Sequential One-Pot Preparation of 1,2,3-Benzotriazin-4(3H)-ones Employing a Key Cp*Co(III)-catalyzed C?H Amidation Step

1,2,3-benzotriazin-4(3H)-one derivatives have been recognised for their potential application as pesticides and pharmaceuticals and new methodologies for their preparation, starting from readily accessible reagents would therefore be an attractive proposition. A wide range of differently substituted benzamides are readily available, which provide an excellent substrate scaffold for the application of direct C?H functionalization protocols. In this context, herein we report the use of a Cp*Co(III) catalyst for the amidation of these benzamides, using 1,4,2-dioxazol-5-ones as amidating agent. The isolable intermediate 2-acetamido benzamide products can thereafter be converted to the desired 1,2,3-benzotriazin-4(3H)-one derivatives through the use of tert-butyl nitrite under mild conditions. It was found to be possible to perform the second step with the crude reaction mixture obtained from the initial C?H amidation step, leading to the overall development of a facile one-pot procedure for the preparation of a range of substituted 1,2,3-benzotriazin-4(3H)-one derivatives, requiring only 5 hours of reaction time, which is also applicable on a gram scale. In addition, the key Cp*Co(III)-catalyzed C?H amidation step has been studied by DFT calculations in order to fully elucidate the mechanism. (Figure presented.).