671-01-2

Basic information

• Product Name: N-benzyl-3-fluorobenzamide
• Synonyms: N-benzyl-3-fluorobenzamide
• CAS NO: 671-01-2
• Molecular Formula: C₁₄H₁₂FNO
• Molecular Weight: 229
• Mol File: 671-01-2.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 392.6±35.0 °C(Predicted)
• Appearance: /
• Density: 1.177±0.06 g/cm3(Predicted)
• PKA: 14.37±0.46(Predicted)
• CAS DataBase Reference: N-benzyl-3-fluorobenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-benzyl-3-fluorobenzamide(671-01-2)
• EPA Substance Registry System: N-benzyl-3-fluorobenzamide(671-01-2)

Safety Data

• Hazardous Substances Data: 671-01-2(Hazardous Substances Data)

Usage

General Description

N-benzyl-3-fluorobenzamide, also known as 3-fluorobenzene-1-carboximidic acid, is a chemical compound consisting of a benzene ring with a fluorine atom in the para position and an amide group attached to the benzene ring. It is commonly used as a building block in the synthesis of various pharmaceuticals and organic compounds. This chemical has the potential to be an essential intermediate for the development of new drugs due to its versatile reactivity and compatibility with a wide range of organic reactions. Its structural properties also make it a valuable reagent for the creation of various functionalized aromatic compounds. Additionally, this compound has applications in the field of agrochemicals and material science due to its potential as a key starting material for the synthesis of a variety of bioactive molecules and materials.

Upstream product

• 455-38-9 3-fluorobenzoic acid 
• 100-46-9 benzylamine 
• 3173-56-6 benzyl isothiocyanate 
• 403-54-3 m-Fluorobenzonitrile 
• 100-44-7 benzyl chloride 
• 456-47-3 3-fluoro-benzenemethanol 
• 1380086-06-5 C₁₀H₁₃FO₂ 
• 1711-07-5 3-fluorobenzoyl chloride 
• 538-86-3 benzyl methyl ether 
• 140-11-4 Benzyl acetate 
• 100-20-9 terephthaloyl chloride 
• 122-04-3 4-nitro-benzoyl chloride 

Downstream Products

• 185751-26-2 [(Diphenyl-phosphinoyl)-(3-fluoro-phenyl)-methyl]-[1-phenyl-meth-(E)-ylidene]-amine 
• 185751-20-6 N-benzyl-3-fluorobenzimidoyl chloride 

Relevant articles and documents

Ammonia-borane as a Catalyst for the Direct Amidation of Carboxylic Acids

Ammonia-borane serves as an efficient substoichiometric (10%) precatalyst for the direct amidation of both aromatic and aliphatic carboxylic acids. In situ generation of amine-boranes precedes the amidation and, unlike the amidation with stoichiometric amine-boranes, this process is facile with 1 equiv of the acid. This methodology has high functional group tolerance and chromatography-free purification but is not amenable for esterification. The latter feature has been exploited to prepare hydroxyl- and thiol-containing amides.

Nickel-catalyzed reductive amidation of aryl-triazine ethers

The reaction of activated phenolic compounds, 2,4,6-triaryloxy-1,3,5-triazine (aryl-triazine ethers), with various isocyanates or carbodiimides in the presence of a nickel pre-catalyst resulted in the synthesis of aryl amides in good to excellent yields.

Synthesis of amides from acid chlorides and amines in the bio-based solvent Cyrene

Cyrene as a bio-alternative dipolar aprotic solvent: a waste minimizing and molar efficient protocol for the synthesis of amides from acid chlorides and primary amines in the bio-available solvent Cyrene is disclosed. This protocol removed the use of toxic solvents, such as dimethylformamide and dichloromethane. A simple aqueous work-up procedure for the removal of the high boiling solvent Cyrene resulted in up to a 55-fold increase in molar efficiency (Mol E.%) versus standard operating procedures. In order to rapidly compare the molar efficiency of this process against other methodologies an Excel based Mol. E% calculator was developed that automates many of the calculations. An investigation into the hydration of Cyrene found that it readily hydrates to form a geminal diol in the presence of water and that this process is exothermic.