3609-46-9

Basic information

• Product Name: Benzoic acid, 2-(1-methylethenyl)-
• CAS NO: 3609-46-9
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Mol File: 3609-46-9.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 2-(1-methylethenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 2-(1-methylethenyl)-(3609-46-9)
• EPA Substance Registry System: Benzoic acid, 2-(1-methylethenyl)-(3609-46-9)

Safety Data

• Hazardous Substances Data: 3609-46-9(Hazardous Substances Data)

Upstream product

• 85-44-9 phthalic anhydride 
• 75-16-1 methylmagnesium bromide 
• 124-38-9 carbon dioxide 
• 62291-45-6 1-lithio-2-(1-methylethenyl)benzene 
• 50-00-0 formaldehyd 
• 577-56-0 2-acetyl-benzoic acid 
• 1077-79-8 methyl 2-acetylbenzoate 
• 27200-84-6 methyl triphenylphosphonium bromide 
• 2065-66-9 methyl-triphenylphosphonium iodide 
• 551-93-9 2-aminoacetophenone 
• 2142-69-0 2-bromophenyl methyl ketone 
• 7073-70-3 1-bromo-2-isopropenylbenzene 
• 1779-49-3 Methyltriphenylphosphonium bromide 
• 17264-81-2 2-acetylbenzoic acid sodium salt 

Downstream Products

• 65680-40-2 C₁₀H₉ClO 
• 23417-82-5 N,N-dimethyl-2-(prop-1-en-2-yl)benzamide 

Relevant articles and documents

Copper-Catalyzed Modular Amino Oxygenation of Alkenes: Access to Diverse 1,2-Amino Oxygen-Containing Skeletons

Copper-catalyzed alkene amino oxygenation reactions using O-acylhydroxylamines have been achieved for a rapid and modular access to diverse 1,2-amino oxygen-containing molecules. This transformation is applicable to the use of alcohols, carbonyls, oximes, and thio-carboxylic acids as nucleophiles on both terminal and internal alkenes. Mild reaction conditions tolerate a wide range of functional groups, including ether, ester, amide, carbamate, and halide. The reaction protocol allows for starting with free amines as the precursor of O-benzoylhydroxylamines to eliminate their isolation and purification, contributing to broader synthetic utilities. Mechanistic investigations reveal the amino oxygenation reactions may involve distinct pathways, depending on different oxygen nucleophiles.

PdII-Catalyzed Oxidative Tandem aza-Wacker/Heck Cyclization for the Construction of Fused 5,6-Bicyclic N,O-Heterocycles

A PdII-catalyzed oxidative tandem cyclization was developed for the construction of fused 5,6-bicyclic N, O-heterocycles. This reaction was enabled by the combined use of a 3-methylpyridine ligand and pentafluorobenzoic acid additive. A range of heterocyclic products with different substituents could be prepared in moderate to good yields via this methodology. Several transformations, including a scaled-up preparation of product 2 a, were also carried out showing the good applicability of our methodology.

Preparation of isoindolinones via a palladium-catalyzed diamination

A Pd(II)-catalyzed cyclization using oxidative olefin diamination was developed for the preparation of isoindolinones from ortho-olefinic N-methoxybenzamides. Using the optimized reaction conditions, the desired products were obtained in up to 90% yield using NFSI as the oxidant. This reaction provides an efficient and direct access to isoindolinones with amine functionality, an important drug skeleton.