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1-(4-Bromophenyl)-2-methylpropan-1-one, also known as 4-Bromo-α-ethylphenylacetone, is a chemical compound with the molecular formula C10H11BrO. It is a ketone that is commonly used in the synthesis of various pharmaceuticals and organic compounds. This colorless liquid with a strong odor and a boiling point of around 270 degrees Celsius is often utilized as an intermediate in the production of amphetamines and other psychoactive substances. Due to its potential for misuse and abuse, it is classified as a controlled substance in many countries and is tightly regulated.

49660-93-7

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49660-93-7 Usage

Uses

Used in Pharmaceutical Industry:
1-(4-Bromophenyl)-2-methylpropan-1-one is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the formation of complex organic molecules that have medicinal properties.
Used in Organic Chemistry Research:
In the field of organic chemistry, 1-(4-Bromophenyl)-2-methylpropan-1-one serves as a valuable compound for research purposes, enabling scientists to explore new reactions and pathways in organic synthesis.
Used in Controlled Substances Regulation:
Due to its role in the synthesis of amphetamines and other psychoactive substances, 1-(4-Bromophenyl)-2-methylpropan-1-one is used in the regulatory framework to monitor and control the production and distribution of substances that can be potentially misused or abused, ensuring compliance with international and national drug control policies.

Check Digit Verification of cas no

The CAS Registry Mumber 49660-93-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,9,6,6 and 0 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 49660-93:
(7*4)+(6*9)+(5*6)+(4*6)+(3*0)+(2*9)+(1*3)=157
157 % 10 = 7
So 49660-93-7 is a valid CAS Registry Number.

49660-93-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

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

1.2 Other means of identification

Product number -
Other names 4'-bromoisobutyrophenone

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:49660-93-7 SDS

49660-93-7Relevant academic research and scientific papers

Chiroptical properties of 1,3-diphenylallene-anchored tetrathiafulvalene and its polymer synthesis

Hasegawa, Masashi,Endo, Junta,Iwata, Seiya,Shimasaki, Toshiaki,Mazaki, Yasuhiro

, p. 972 - 979 (2015)

A novel tetrathiafulvalene dimer, bridged by a chiral 1,3-diphenylallene framework, has been prepared as an optically active compound having strong chiroptical properties. Although a chiral allene bearing strong electron-donating group(s) often undergoes slow photoracemization even in daylight, the present allene is totally configurationally stable under ordinary conditions. Each isomer possesses pronounced chiroptical properties in its ECD spectra reflecting the chiral allene framework. Moreover, the elongation of the chiral main chain was also carried out by direct C-H activation of the TTF unit, and the chiroptical properties of the resulting polymer were also investigated.

5-Aryl-2-(3,5-dialkyl-4-hydroxyphenyl)-4,4-dimethyl- 4H-imidazole 3-oxides and their redox species: How antioxidant activity of 1-hydroxy-2,5-dihydro- 1h-imidazoles correlates with the stability of hybrid phenoxyl-nitroxides

Amitina, Svetlana A.,Artamonov, Ilya A.,Dmitrieva, Natalya A.,Kandalintseva, Natalya V.,Lomanovich, Alyona V.,Markov, Alexander F.,Mazhukin, Dmitrii G.,Ten, Yury A.,Zaytseva, Elena V.

supporting information, (2020/08/24)

Cyclic nitrones of the imidazole series, containing a sterically hindered phenol group, are promising objects for studying antioxidant activity; on the other hand, they can form persistent hybrid phenoxyl-nitroxyl radicals (HPNs) upon oxidation. Here, a series of 5-aryl-4,4-dimethyl- 4H-imidazole 3-oxides was obtained by condensation of aromatic 2-hydroxylaminoketones with 4-formyl-2,6-dialkylphenols followed by oxidation of the initially formed N-hydroxy derivatives. It was shown that the antioxidant activity of both 1-hydroxy-2,5-dihydroimidazoles and 4H-imidazole 3-oxides increases with a decrease in steric volume of the alkyl substituent in the phenol group, while the stability of the corresponding HPNs generated from 4H-imidazole 3-oxides reveals the opposite tendency.

Method for preparing para-substituted bromobenzene

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Paragraph 0072-0084, (2020/01/12)

The present application relates to a method for preparing para-substituted bromobenzene represented by formula 2, which is characterized in that the method comprises the steps of: in organic solvents,in the presence of alkali, the compound represented by

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

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Paragraph 0063-0064, (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.

I-Pr2NMgCl·LiCl Enables the Synthesis of Ketones by Direct Addition of Grignard Reagents to Carboxylate Anions

Colas, Kilian,Dos Santos, A. Catarina V. D.,Mendoza, Abraham

supporting information, (2019/10/08)

The direct preparation of ketones from carboxylate anions is greatly limited by the required use of organolithium reagents or activated acyl sources that need to be independently prepared. Herein, a specific magnesium amide additive is used to activate and control the addition of more tolerant Grignard reagents to carboxylate anions. This strategy enables the modular synthesis of ketones from CO2 and the preparation of isotopically labeled pharmaceutical building blocks in a single operation.

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.

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.

, 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).

Synthesis methods of firocoxib and firocoxib intermediate

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Paragraph 0067-0081, (2018/03/26)

The invention relates to the field of medicine synthesis and provides synthesis methods of firocoxib and a firocoxib intermediate. The synthesis method of the firocoxib intermediate takes 4'-bromopropiophenone as a starting raw material and a condition th

Synthesis of Halomethyl Isoxazoles/Cyclic Nitrones via Cascade Sequence: 1,2-Halogen Radical Shift as a Key Link

Chen, Hong-Lei,Wei, Dian,Zhang, Jian-Wu,Li, Cheng-Lin,Yu, Wei,Han, Bing

supporting information, p. 2906 - 2910 (2018/05/28)

A novel iminoxyl radical-promoted dichotomous regioselective 5-exo-trig cyclization onto vinylic halogen/1,2-halogen radical shift sequence is developed for the synthesis of halomethyl isoxazoles/cyclic nitrones using β-halo-β,?- and ?-halo-?,?-unsaturated ketoximes as the substrates and PhI(OAc)2/TEMPO as the oxidation system. DFT calculations reveal that a halogen-bridged three-membered ring transition state is involved in the 1,2-Cl-/Br-atom shift, while the 1,2-I atom migration can be taken into account with an elimination/readdition mechanism. The migration ability was indicated to be ranked in the following order: I > Br > Cl.

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