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4'-Chloro-2-methylpropiophenone is a synthetically produced chemical compound that belongs to the class of phenones, which are organic compounds containing a phenyl group bonded to a ketone. It is commonly found in various industrial and laboratory applications and is a precursor to many other chemical products. 4'-CHLORO-2-METHYLPROPIOPHENONE may appear as a colorless or pale yellow liquid and is known to cause burn and eye irritation, necessitating protective precautions during handling.

18713-58-1

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18713-58-1 Usage

Uses

Used in Perfumery and Aroma Industry:
4'-Chloro-2-methylpropiophenone is used as a chemical intermediate for the synthesis of various fragrances and scents. Its unique chemical structure contributes to the creation of distinct aromas, making it a valuable component in the development of perfumes and other scented products.
Used in Pharmaceutical Industry:
4'-Chloro-2-methylpropiophenone is used as a precursor in the synthesis of various pharmaceutical compounds. Its versatile chemical properties allow it to be incorporated into the development of new drugs, potentially leading to advancements in medicine and healthcare.
Used in Chemical Research and Development:
4'-Chloro-2-methylpropiophenone is used as a research compound in various chemical studies and experiments. Its unique properties and reactivity make it an essential tool for understanding and developing new chemical processes and reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 18713-58-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,7,1 and 3 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 18713-58:
(7*1)+(6*8)+(5*7)+(4*1)+(3*3)+(2*5)+(1*8)=121
121 % 10 = 1
So 18713-58-1 is a valid CAS Registry Number.

18713-58-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-chlorophenyl)-2-methylpropan-1-one

1.2 Other means of identification

Product number -
Other names 4'-Chloroisobutyrophenone

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:18713-58-1 SDS

18713-58-1Relevant academic research and scientific papers

Competitive Desulfonylative Reduction and Oxidation of α-Sulfonylketones Promoted by Photoinduced Electron Transfer with 2-Hydroxyaryl-1,3-dimethylbenzimidazolines under Air

Hasegawa, Eietsu,Nakamura, Shyota,Oomori, Kazuki,Tanaka, Tsukasa,Iwamoto, Hajime,Wakamatsu, Kan

, p. 2556 - 2569 (2021/02/27)

Desulfonylation reactions of α-sulfonylketones promoted by photoinduced electron transfer with 2-hydroxyarylbenzimidazolines (BIH-ArOH) were investigated. Under aerobic conditions, photoexcited 2-hydroxynaphthylbenzimidazoline (BIH-NapOH) promotes competitive reduction (forming alkylketones) and oxidation (producing α-hydroxyketones) of sulfonylketones through pathways involving the intermediacy of α-ketoalkyl radicals. The results of an examination of the effects of solvents, radical trapping reagents, substituents of sulfonylketones, and a variety of hydroxyaryl- and aryl-benzimidazolines (BIH-ArOH and BIH-Ar) suggest that the oxidation products are produced by dissociation of α-ketoalkyl radicals from the initially formed solvent-caged radical ion pairs followed by reaction with molecular oxygen. In addition, the observations indicate that the reduction products are generated by proton or hydrogen atom transfer in solvent-caged radical ion pairs derived from benzimidazolines and sulfonylketones. The results also suggest that arylsulfinate anions arising by carbon-sulfur bond cleavage of sulfonylketone radical anions act as reductants in the oxidation pathway to convert initially formed α-hydroperoxyketones to α-hydroxyketones. Finally, density functional theory calculations were performed to explore the structures and properties of radical ions of sulfonylketones as well as BIH-NapOH.

External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with: O -benzoylhydroxylamines

Chen, Jiangfei,Zhu, Yan-Ping,Li, Jin-Heng,Wang, Qiu-An

supporting information, p. 5215 - 5218 (2021/05/31)

A new copper-catalyzed two-component amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with O-benzoylhydroxylamines as the benzoyloxy sources is developed. Chemoselectivity of this method toward amino-benzoyloxylation or oxy-benzoyloxylation of alkenyl ketoximes relies on the position of the tethered olefins, and provides an external-oxidant-free alkene difunctionalization route that directly utilizes O-benzoylhydroxylamines as the benzoyloxy radical precursors and internal oxidants for the divergent synthesis of cyclic nitrones and isoxazolines.

Iron-Catalyzed Cleavage Reaction of Keto Acids with Aliphatic Aldehydes for the Synthesis of Ketones and Ketone Esters

Zhou, Fangyuan,Li, Lesong,Lin, Kao,Zhang, Feng,Deng, Guo-Jun,Gong, Hang

supporting information, p. 4246 - 4250 (2020/03/11)

The radical–radical coupling reaction is an important synthetic strategy. In this study, the iron-catalyzed radical–radical cross-coupling reaction based on the decarboxylation of keto acids and decarbonylation of aliphatic aldehydes to obtain valuable aryl ketones is reported for the first time. Remarkably, when tertiary aldehydes were used as carbonyl sources, ketone esters were selectively obtained instead of ketones. The gram-scale preparation of aryl ketone through this strategy was easily achieved by using only 3 mol % of the iron catalyst. As a proof-of-concept, the bioactive molecule flurprimidol was synthesized in two steps by using this strategy.

Method for preparing aryl ketone based on iron-catalyzed free radical-free radical coupling reaction such as ketonic acid decarboxylation and fatty aldehyde de-carbonylation

-

Paragraph 0061-0062, (2020/05/05)

The invention discloses a method for preparing an aryl ketone derivative based on a free radical-free radical cross-coupling reaction such as ketonic acid decarboxylation and fatty aldehyde de-carbonylation. The method comprises the following steps: reacting aryl-substituted ketonic acid with fatty aldehyde under the catalytic action of ferric triacetylacetonate to generate an aryl ketone derivative; the gram-grade reaction can be realized by the method only by using 3mol% of an iron catalyst; and the method has the advantages of no need of consumption of a large amount of a Lewis acid catalyst or a stoichiometric organic metal reagent, mild reaction conditions, one-step reaction, few by-products, wide substrate application range and scalable reaction, and overcomes the defects of large catalyst consumption, insufficient functional group tolerance, many by-products and the like in the prior art.

Copper-catalyzed iminohalogenation of γ, δ-unsaturated oxime esters with halide salts: Synthesis of 2-halomethyl pyrrolines

Chen, Chen,Ding, Jie,Wang, Yuebo,Shi, Xiaonan,Jiao, Dequan,Zhu, Bolin

supporting information, (2019/08/13)

A copper-catalyzed iminohalogenation of unactivated alkenes of γ, δ-unsaturated oxime esters is achieved by using readily available halide salts. Utilizing this protocol, a sequence of structurally diversiform 2-halomethyl pyrrolines are efficiently synthesized and a mechanism involving iminyl radical intermediates, which were initiated by Cu(I) species, was proposed.

Silver-promoted cascade radical cyclization of γ,δ-unsaturated oxime esters with P(O)H compounds: synthesis of phosphorylated pyrrolines

Chen, Chen,Bao, Yinwei,Zhao, Jinghui,Zhu, Bolin

supporting information, p. 14697 - 14700 (2019/12/11)

A cascade radical cyclization was realized for the first silver-promoted imino-phosphorylation of γ,δ-unsaturated oxime esters, which provided a step-economical and redox-neutral route to access a variety of phosphorylated pyrrolines in good to excellent yields. Moreover, a new bulky trivalent phosphine ligand with a pyrroline motif was obtained through a deoxidation process.

One-Pot Conversion of Allylic Alcohols to α-Methyl Ketones via Iron-Catalyzed Isomerization-Methylation

Latham, Daniel E.,Polidano, Kurt,Williams, Jonathan M. J.,Morrill, Louis C.

supporting information, p. 7914 - 7918 (2019/10/16)

A one-pot iron-catalyzed conversion of allylic alcohols to α-methyl ketones has been developed. This isomerization-methylation strategy utilized a (cyclopentadienone)iron(0) carbonyl complex as precatalyst and methanol as the C1 source. A diverse range of allylic alcohols undergoes isomerization-methylation to form α-methyl ketones in good isolated yields (up to 84% isolated yield).

Manganese catalyzed α-methylation of ketones with methanol as a C1 source

Bruneau-Voisine, Antoine,Pallova, Lenka,Bastin, Stéphanie,César, Vincent,Sortais, Jean-Baptiste

supporting information, p. 314 - 317 (2019/01/09)

The direct α-methylation of ketones with methanol under hydrogen borrowing conditions using a well-defined manganese PN3P complex as a pre-catalyst was, for the first time, achieved. The reactions typically proceed at 120 °C for 20 h with 3 mol% pre-catalyst loading and in the presence of NaOtBu (50 mol%) as base. The scope of the reaction was extended to the α-methylation of esters.

Catalytic C1 Alkylation with Methanol and Isotope-Labeled Methanol

Sklyaruk, Jan,Borghs, Jannik C.,El-Sepelgy, Osama,Rueping, Magnus

supporting information, p. 775 - 779 (2019/01/04)

A metal-catalyzed methylation process has been developed. By employing an air- and moisture-stable manganese catalyst together with isotopically labeled methanol, a series of D-, CD3-, and 13C-labeled products were obtained in good yields under mild reaction conditions with water as the only byproduct.

Naphthyridine-based iridium complexes: Structures and catalytic activity on alkylation of aryl ketones

Chen, Po-Hao,Liu, Yi-Hung,Liu, Shiuh-Tzung

, p. 972 - 981 (2019/05/24)

Iridium(III) complexes containing a designed ligand, 2-amino-7-(2-pyridinyl)-1,8-naphthyridine derivative, were prepared and all complexes were characterized using spectroscopic and crystallographic methods. These new Ir(III) complexes are able to act as catalysts for the C-alkylation of aryl alkyl ketones with the use of alcohols as the alkylating agent. Typically, acetophenone undergoes alkylation with methanol and ethanol to yield isobutyrophenone and butyrophenone, respectively.

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