58422-85-8

Basic information

• Product Name: Benzeneacetonitrile, 2-acetyl- (9CI)
• Synonyms: Benzeneacetonitrile, 2-acetyl- (9CI);2-Acetylphenyacetonitrile;2-Acetylphenylacetonitrile;2-Acetylphenylacetonitrile（WS200867）
• CAS NO: 58422-85-8
• Molecular Formula: C₁₀H₉NO
• Molecular Weight: 159.18456
• Product Categories: ACETYLGROUP
• Mol File: 58422-85-8.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 116 °C(Press: 0.2 Torr)
• Appearance: /
• Density: 1.081
• CAS DataBase Reference: Benzeneacetonitrile, 2-acetyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzeneacetonitrile, 2-acetyl- (9CI)(58422-85-8)
• EPA Substance Registry System: Benzeneacetonitrile, 2-acetyl- (9CI)(58422-85-8)

Safety Data

• Hazardous Substances Data: 58422-85-8(Hazardous Substances Data)

Usage

General Description

Benzeneacetonitrile, 2-acetyl- (9CI) is a chemical compound that is also known as 2-acetylbenzonitrile. It is a colorless to pale yellow liquid with a pleasant odor, and it is primarily used as an intermediate in the production of pharmaceuticals, pesticides, and other organic compounds. It is a highly important chemical in the field of organic synthesis and is commonly used as a starting material in the production of various chemicals. Additionally, it is also used as a solvent in certain chemical reactions and as a reagent in organic synthesis. However, it is important to handle this chemical with care, as it can be hazardous to health if not properly controlled and managed.

Upstream product

• 58422-67-6 α-Peracetoxy-α-methyl-β-o-tolylpropionitril 
• 177607-91-9 [2-(2-methyl-[1,3]dioxolan-2-yl)-phenyl]-acetonitrile 
• 150982-68-6 2-methyl-2-(2-methylphenyl)-1,3-dioxolane 
• 150982-69-7 2-(2-bromomethyl-phenyl)-2-methyl-[1,3]dioxolane 
• 6213-94-1 trimethylsiloxyethene 
• 40400-15-5 2-(2-iodophenyl)acetonitrile 
• 690229-60-8 2-(cyanomethyl)benzoyl chloride 
• 656807-25-9 2-(2-vinylphenyl)acetonitrile 
• 577-16-2 2-Methylacetophenone 

Downstream Products

• 173417-10-2 2-[2-(1,1-Dimethoxy-ethyl)-phenyl]-acetamide 
• 16535-89-0 3-hydroxy-1-methylisoquinoline 
• 1442649-31-1 1-methyl-N-phenylisoquinolin-3-amine 
• 1442649-32-2 1-methyl-N-(4-methylphenyl)isoquinolin-3-amine 
• 177607-91-9 [2-(2-methyl-[1,3]dioxolan-2-yl)-phenyl]-acetonitrile 

Relevant articles and documents

Microwave-induced synthesis of N-substituted 1-alkyl and 1-aryl 3-aminoisoquinolines

Aminoisoquinolines are an important class of heterocyclic compounds. These compounds present a wide range of pharmacological properties including antimalaric, anticonvulsant and anti-inflammatory. Although several preparation routes may be found in the li

A continuous flow solution to achieving efficient aerobic anti-Markovnikov Wacker oxidation

An aerobic anti-Markovnikov Wacker oxidation for the flow-synthesis of arylacetaldehydes is reported. In the process, flow chemistry techniques have provided a means to control and minimise the over-oxidation of sensitive products. The reaction showed general applicability to various functionalised styrenes and provided a process capable of a multi-gram scale. Copyright

Photochemical preparation of highly functionalized 1-indanones

A series of o-alkylphenyl alkyl ketones 1 were synthesized by different methods. The presence of a leaving group X adjacent to the carbonyl group is the special peculiarity of these ketones. Upon irradiation the keto carbonyl group of these compounds undergoes an n-π* excitation followed by a 1,5-hydrogen migration from the o-alkyl substituent to the carbonyl oxygen atom. The thus formed 1,4-diradicals are subject to a very rapid elimination of acid HX, giving 1,5-diradicals. We called this process spin center shift. After intersystem crossing these diradicals cyclize to 1-indanones 20 in good yields. Depending on the solvent and on substituents, o-alkoxyalkyl ketones 22 or benzo-[c]furanes 21 are obtained as byproducts. The mechanism of the cyclization was elucidated by quantum chemical calculations and kinetic measurements.