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Benzeneacetonitrile, 2-acetyl(9CI), also known as 2-acetylbenzonitrile, is a colorless to pale yellow liquid with a pleasant odor. It is a chemical compound that serves as a crucial intermediate in the production of pharmaceuticals, pesticides, and other organic compounds. This highly important chemical in the field of organic synthesis is commonly used as a starting material for the synthesis of various chemicals. It also functions as a solvent in certain chemical reactions and as a reagent in organic synthesis. Due to its potential hazards to health, it is essential to handle this chemical with care and proper control.

58422-85-8

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58422-85-8 Usage

Uses

Used in Pharmaceutical Industry:
Benzeneacetonitrile, 2-acetyl(9CI) is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs and medicinal compounds.
Used in Pesticide Industry:
In the pesticide industry, Benzeneacetonitrile, 2-acetyl(9CI) is utilized as an intermediate in the production of pesticides, playing a key role in the creation of effective and safe agrochemicals.
Used in Organic Synthesis:
Benzeneacetonitrile, 2-acetyl(9CI) is employed as a starting material in organic synthesis for its versatility in forming a wide range of organic compounds, contributing to the advancement of chemical research and development.
Used as a Solvent in Chemical Reactions:
Benzeneacetonitrile, 2-acetyl(9CI) is used as a solvent in certain chemical reactions, facilitating the process and enhancing the efficiency of specific chemical transformations.
Used as a Reagent in Organic Synthesis:
Benzeneacetonitrile, 2-acetyl(9CI) is also used as a reagent in organic synthesis, enabling chemists to carry out various reactions and synthesize complex organic molecules.

Check Digit Verification of cas no

The CAS Registry Mumber 58422-85-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,8,4,2 and 2 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 58422-85:
(7*5)+(6*8)+(5*4)+(4*2)+(3*2)+(2*8)+(1*5)=138
138 % 10 = 8
So 58422-85-8 is a valid CAS Registry Number.

58422-85-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name Benzeneacetonitrile, 2-acetyl- (9CI)

1.2 Other means of identification

Product number -
Other names o-Acetylphenylacetonitril

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:58422-85-8 SDS

58422-85-8Relevant academic research and scientific papers

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

Méndez, Leticia J.,Villalba, María L.,Cánepa, Alicia S.,Bravo, Rodolfo D.

, p. 8 - 13 (2017/03/08)

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

P2O5/SiO2: A simple and effective catalyst for the synthesis of nsubstituted 1-alkyl and 1-aryl 3-aminoisoquinolines

Mendez, Leticia J.,Canepa, Alicia S.,Rimada, Ruben,Bravo, Rodolfo D.

, p. 240 - 244 (2013/07/26)

A synthesis of N-substituted 1-alkyl and 1-aryl 3-aminoisoquinolines by cyclocondensation of 2-acylphenylacetonitriles with aliphatic and aromatic amines using P2O5/SiO2 as catalysts is described. Selectivity, simplicity o

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

Bourne,Ley

supporting information, p. 1905 - 1910 (2013/08/23)

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

Microwave-assisted one-step synthesis of acetophenones via palladium-catalyzed regioselective arylation of vinyloxytrimethylsilane

Qian, Wangke,Zhang, Lei,Sun, Haifeng,Jiang, Hualiang,Liu, Hong

supporting information, p. 3231 - 3236 (2013/01/15)

The regiochemistry of the palladium-mediated arylation (Heck arylation) of enol ethers is sensitive to the structure of the enol ether, the arylating agent and the catalytic system. In this study, an effective and practical method was successfully developed for the synthesis of acetophenones with high regioselectivity under palladium-catalyzed conditions. A variety of acetophenones was readily prepared from aryl iodides in good to excellent yields under microwave irradiation in a single step. The key feature of our new protocol is the use of vinyloxytrimethylsilane as a highly regioselective acylation reagent. Copyright

Photochemical preparation of highly functionalized 1-indanones

Wessig, Pablo,Glombitza, Clemens,Mueller, Gunnar,Teubner, Janek

, p. 7582 - 7591 (2007/10/03)

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.

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