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4'-Bromo-2,2-dimethylpropiophenone, a chemical compound with the molecular formula C11H13BrO, is a white to off-white crystalline powder. It has a molecular weight of 227.12 g/mol and is known for its mild, sweet, and floral odor. 4'-BROMO-2,2-DIMETHYLPROPIOPHENONE is commonly used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and dyes, and also serves as a reagent in organic synthesis and a building block for the preparation of various derivatives. Due to its potential to irritate the skin, eyes, and respiratory system, it should be handled with caution and stored in a cool, dry, and well-ventilated area away from incompatible materials and sources of ignition.

30314-45-5

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30314-45-5 Usage

Uses

Used in Pharmaceutical Industry:
4'-Bromo-2,2-dimethylpropiophenone is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs and medications.
Used in Agrochemical Industry:
In the agrochemical industry, 4'-Bromo-2,2-dimethylpropiophenone is utilized as an intermediate in the production of agrochemicals, playing a role in the creation of substances that help protect crops and enhance agricultural productivity.
Used in Dye Industry:
4'-BROMO-2,2-DIMETHYLPROPIOPHENONE is used as an intermediate in the synthesis of dyes, contributing to the development of colorants for various applications, including textiles, plastics, and printing inks.
Used in Organic Synthesis:
4'-Bromo-2,2-dimethylpropiophenone is used as a reagent in organic synthesis, facilitating various chemical reactions and contributing to the formation of a wide range of organic compounds.
Used in Preparation of Derivatives:
As a building block, 4'-Bromo-2,2-dimethylpropiophenone is used in the preparation of various derivatives, enabling the creation of new chemical entities with potential applications in different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 30314-45-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,0,3,1 and 4 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 30314-45:
(7*3)+(6*0)+(5*3)+(4*1)+(3*4)+(2*4)+(1*5)=65
65 % 10 = 5
So 30314-45-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H13BrO/c1-11(2,3)10(13)8-4-6-9(12)7-5-8/h4-7H,1-3H3

30314-45-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(4-bromophenyl)-2,2-dimethylpropan-1-one

1.2 Other means of identification

Product number -
Other names 1-(4-bromo-phenyl)-2,2-dimethyl-propan-1-one

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:30314-45-5 SDS

30314-45-5Relevant academic research and scientific papers

N-Heterocyclic Carbene-Catalyzed Decarboxylative Alkylation of Aldehydes

Ishii, Takuya,Kakeno, Yuki,Nagao, Kazunori,Ohmiya, Hirohisa

supporting information, p. 3854 - 3858 (2019/04/25)

We found that N-heterocyclic carbene catalysis promoted the unprecedented decarboxylative coupling of aryl aldehydes and tertiary or secondary alkyl carboxylic acid-derived redox-active esters to produce aryl alkyl ketones. The mild and transition-metal-free reaction conditions are attractive features of this method. The power of this protocol was demonstrated by the functionalization of pharmaceutical drugs and natural product. A reaction pathway involving single electron transfer from an enolate form of Breslow intermediate to a redox ester followed by recombination of the resultant radical pair to form a carbon-carbon bond is proposed.

Cp?Co(III)-Catalyzed C-H Alkylation with Maleimides Using Weakly Coordinating Carbonyl Directing Groups

Mandal, Rajib,Emayavaramban, Balakumar,Sundararaju, Basker

supporting information, p. 2835 - 2838 (2018/05/29)

A novel protocol for ortho-C-H alkylation of aromatic and heteroaromatic ketones and esters under Cp?Co(III) catalysis has been developed for the first time. The reaction proceeds through initial cyclometalation via weak chelation-assisted C-H bond activation, followed by coordination of activated alkene, insertion between Co-C, and protodemetalation.

AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS

-

Page/Page column 70-71, (2016/07/27)

The present invention is directed to amide compounds which are inhibitors of tryptophan hydroxylase (TPH), particularly isoform 1 (TPH1), that are useful in the treatment or prevention of diseases or disorders associated with peripheral serotonin including, for example, gastrointestinal, cardiovascular, pulmonary, inflammatory, metabolic, fibrotic, and low bone mass diseases, as well as cancer.

Synthesis and methemoglobinemia-inducing properties of analogues of para-aminopropiophenone designed as humane rodenticides

Rennison, David,Conole, Daniel,Tingle, Malcolm D.,Yang, Junpeng,Eason, Charles T.,Brimble, Margaret A.

supporting information, p. 6629 - 6635 (2014/01/06)

A number of structural analogues of the known toxicant para- aminopropiophenone (PAPP) have been prepared and evaluated for their capacity to induce methemoglobinemia - with a view to their possible application as humane pest control agents. It was found that an optimal lipophilicity for the formation of methemoglobin (metHb) in vitro existed for alkyl analogues of PAPP (aminophenones 1-20; compound 6 metHb% = 74.1 ± 2). Besides lipophilicity, this structural sub-class suggested there were certain structural requirements for activity, with both branched (10-16) and cyclic (17-20) alkyl analogues exhibiting inferior in vitro metHb induction. Of the four candidates (compounds 4, 6, 13 and 23) evaluated in vivo, 4 exhibited the greatest toxicity. In parallel, aminophenone bioisosteres, including oximes 30-32, sulfoxide 33, sulfone 34 and sulfonamides 35-36, were found to be inferior metHb inducers to lead ketone 4. Closer examination of Hammett substituent constants suggests that a particular combination of the field and resonance parameters may be significant with respect to the redox mechanisms behind PAPPs metHb toxicity.

Ultrasound assisted Friedel-Crafts acylation of aromatics using ferric sulphate as catalyst

Sridharan, Anandhi,Gopalakrishnan, Geetha

experimental part, p. 1192 - 1195 (2011/10/18)

The use of ultrasound in the acylation reactions of various aromatics and polyaromatics with different acyl chlorides, in the presence of catalytic amount of ferric sulphate at room temperature, gives good yields of the respective ketones with a short reaction time. A facile and simple synthesis of various aromatic ketones using Friedel-Crafts acylation has been established from the corresponding acid chlorides and aromatic or polyaromatic compounds, respectively under mild reaction conditions with shorter reaction times (30-45 min) and in reasonable yields. This method offers the advantage of low cost and ease of purification of the products because of the small amount of ferric sulphate used in these reactions.

Copper-catalyzed hydrosilylation with a bowl-shaped phosphane ligand: Preferential reduction of a bulky ketone in the presence of an aldehyde

Fujihara, Tetsuaki,Semba, Kazuhiko,Terao, Jun,Tsuji, Yasushi

supporting information; experimental part, p. 1472 - 1476 (2010/05/02)

Chemical Equation Presented Hollywood bowl: A highly active copper catalyst with a bowl-shaped phosphane (bsp) ligand was used in the hydrosilylation reaction of bulky ketones. The preferential reduction of a bulky ketone in the presence of an unprotected aldehyde is unprecedented.

Facile synthesis of pivalophenones by an ultrasound assisted iodine catalysed Friedel-Crafts acylation reaction

Gopalakrishnan, Geetha,Anandhi,Narasimhan

, p. 1197 - 1198 (2007/10/03)

The use of ultrasound in the acylation reactions of various aromatics and heterocyclics with pivaloyl chloride in the presence of catalytic amount of iodine, without any added solvent and at room temperature, gives excellent yields of the respective pivalophenones in a short reaction time.

A facile synthesis of pivalophenones by ultrasound assisted AlCl3 catalysed Friedel-Crafts reaction

Gopalakrishnan, Geetha,Anandhi,Narasimhan

, p. 1194 - 1196 (2007/10/03)

Pivalophenones have been prepared by the acylation reaction of various aromatic and heterocyclic compounds with pivaloyl chloride using AlCl3 as catalyst under sonochemical conditions in a short reaction time and in reasonable yields.

A Convenient Procedure for Complete Methylation of the α-Positions of Some Ketones

Lissel, Manfred,Neumann, Beate,Schmidt, Stefan

, p. 263 - 264 (2007/10/02)

2,2,6,6-Tetramethylcyclohexanone (2a), Pivalophenone (4a), and other complete methylated ketones can be prepared by a simple procedure.Therefore the ketone was treated with methyl iodide and powdered KOH in the presence of catalytical amounts of crown-6.

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