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Ethanone, 1-(3-bromophenyl)-2-hydroxy-, also known as 3-bromo-1-(2-hydroxyphenyl)acetone, is a chemical compound that belongs to the class of ketones. It is characterized by a molecule consisting of a carbonyl group attached to a phenyl ring with a bromine atom and a hydroxyl group at specific positions. This chemical is commonly used in organic synthesis and pharmaceutical research due to its potential as a building block for more complex molecules. Additionally, it possesses properties that make it useful in the development of drugs and bioactive compounds. However, it is important to handle this chemical with caution as it may pose potential health hazards if not properly managed.

4079-51-0

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4079-51-0 Usage

Uses

Used in Organic Synthesis:
Ethanone, 1-(3-bromophenyl)-2-hydroxyis used as a building block for the synthesis of more complex molecules in the field of organic chemistry. Its unique structure allows for the creation of a wide range of compounds with various applications.
Used in Pharmaceutical Research:
Ethanone, 1-(3-bromophenyl)-2-hydroxyis used as a starting material in the development of new drugs and bioactive compounds. Its properties make it a valuable component in the design and synthesis of potential therapeutic agents.
Used in Drug Development:
Ethanone, 1-(3-bromophenyl)-2-hydroxyis used as a key intermediate in the synthesis of pharmaceutical compounds. Its presence in the molecular structure can contribute to the overall effectiveness and potency of the final drug product.
Used in Chemical Research:
Ethanone, 1-(3-bromophenyl)-2-hydroxyis used as a research tool in the study of chemical reactions and mechanisms. Its reactivity and structural features make it an interesting subject for academic and industrial research.

Check Digit Verification of cas no

The CAS Registry Mumber 4079-51-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,0,7 and 9 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 4079-51:
(6*4)+(5*0)+(4*7)+(3*9)+(2*5)+(1*1)=90
90 % 10 = 0
So 4079-51-0 is a valid CAS Registry Number.

4079-51-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 1- (3-bromophenyl)-2-hydroxyethanone

1.2 Other means of identification

Product number -
Other names α-hydroxy-3-bromoacetophenone

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:4079-51-0 SDS

4079-51-0Relevant academic research and scientific papers

One-Pot Enzymatic-Chemical Cascade Route for Synthesizing Aromatic α-Hydroxy Ketones

Wang, Lei,Song, Wei,Wang, Binju,Zhang, Yan,Xu, Xin,Wu, Jing,Gao, Cong,Liu, Jia,Chen, Xiulai,Chen, Jinghua,Liu, Liming

, p. 2808 - 2818 (2021/03/15)

2-Hydroxyacetophenone (2-HAP) is an important building block for the production of a series of natural products and pharmaceuticals; however, there is no safe, efficient, and economical method for 2-HAP synthesis. Here, a one-pot enzymatic-chemical cascade route was designed for synthesizing 2-HAP based on retrosynthetic analysis. First, a spontaneous proton-transfer reaction was designed using a computational simulation that enabled 2-HAP synthesis from the isomer 2-hydroxy-2-phenylacetaldehyde. A route for 2-hydroxy-2-phenylacetaldehyde synthesis was then constructed by introducing the unnatural substrate glyoxylic acid into a C-C ligation reaction catalyzed by Candida tropicalis pyruvate decarboxylase. Assembly and optimization of this enzymatic-chemical cascade route resulted in a final yield of 92.7%. Furthermore, stereospecific carbonyl reductases were introduced to construct a synthetic application platform that enabled further transformation of 2-HAP into (S)- and (R)-1-phenyl-1,2-ethanediol. This method of cascading spontaneous chemical and enzymatic reactions to synthesize chemicals offers insight into avenues for synthesizing other valuable chemicals.

Chiral Bidentate Phosphoramidite-Pd Catalyzed Asymmetric Decarboxylative Dipolar Cycloaddition for Multistereogenic Tetrahydrofurans with Cyclic N-Sulfonyl Ketimine Moieties

Lv, Hao-Peng,Yang, Xiao-Peng,Wang, Bai-Lin,Yang, Hao-Di,Wang, Xing-Wang,Wang, Zheng

supporting information, p. 4715 - 4720 (2021/06/28)

An asymmetric [3 + 2] cycloaddition of vinyl ethylenecarbonates (VECs) and (E)-3-arylvinyl substituted benzo[d] isothiazole 1,1-dioxides has been developed using the Pd complex of a bidentate phosphoramidite (Me-BIPAM) as the catalyst, providing a wide variety of chiral multistereogenic vinyltetrahydrofurans in good yields with excellent diastereo- and enantioselectivities (up to >20:1 dr, 99% ee).

Palladium-Catalyzed (3+3) Annulation of Allenylethylene Carbonates with Nitrile Oxides

Pan, Ting,Gao, Xing,Yang, Sen,Wang, Lan,Hu, Yimin,Liu, Min,Wang, Wei,Wu, Yongjun,Zheng, Bing,Guo, Hongchao

supporting information, p. 5750 - 5754 (2021/08/16)

In this paper, we designed and synthesized a new type of cyclic carbonates, allenylethylene carbonates (AECs). With AECs as reactive precursors, we developed palladium-catalyzed (3+3) annulation of AECs with nitrile oxides. Various AECs worked well in this reaction under mild reaction conditions. A variety of 5,6-dihydro-1,4,2-dioxazine derivatives with allenyl quaternary stereocenters can be accessed in a facile manner in high yields (≤98%).

Palladium-Catalyzed [5 + 2] Annulation of Vinylethylene Carbonates with Barbiturate-Derived Alkenes

Chen, Yuehua,Deng, Hao,Gao, Xing,Guo, Hongchao,Jiang, Feng,Wang, Wei,Wu, Yongjun,Zhu, Dongyu

supporting information, p. 7158 - 7163 (2020/10/02)

A palladium/XantPhos-catalyzed [5 + 2] annulation of VECs with electron-deficient alkenes having an isolated carbon-carbon double bond has been developed to afford spirobarbiturate-tetrahydrooxepines. This study provides an expedient assembly of biologically interesting spirobarbiturate-tetrahydrooxepines. The easy scalability and versatile transformability of the reaction products were also exhibited.

Regioselective three-component synthesis of 1,2-diarylindoles from cyclohexanones, α-hydroxyketones and anilines under transition-metal-free conditions

Li, Cheng,Xie, Yanjun,Xiao, Fuhong,Huang, Huawen,Deng, Guo-Jun

supporting information, p. 4079 - 4082 (2019/04/25)

A facile method for the one-pot synthesis of 1,2-diarylindoles under transition-metal-free conditions is described. Cyclohexanones were used as the aryl sources via the dehydrogenative aromatization process. One C-C and two C-N bonds were selectively formed via a domino reaction. This protocol provides a convenient approach for the construction of valuable bioactive 1,2-diarylindoles from readily available cyclohexanones, α-hydroxyketones and anilines.

Spiro[indene-1,4′-oxa-zolidinones] Synthesis via Rh(III)-Catalyzed Coupling of 4-Phenyl-1,3-oxazol-2(3 H)-ones with Alkynes: A Redox-Neutral Approach

Liu, Zhongsu,Zhang, Wenjing,Guo, Shan,Zhu, Jin

, p. 11945 - 11957 (2019/10/02)

Transition-metal-catalyzed C-H activation synthesis of heterocyclic spiro[4,4]nonanes has persistently witnessed the use of additional stoichiometric transition-metal oxidant when employing C=C bond as the spiro ring closure site. Herein, we have addressed the issue by reporting a redox-neutral strategy for spiro[indene-1,4′-oxa-zolidinones] synthesis via Rh(III)-catalyzed coupling of 4-phenyl-1,3-oxazol-2(3H)-ones with alkynes. The synthesis features a broad substrate scope and high regiospecificity.

Copper-Catalyzed Enantioselective Construction of Tertiary Propargylic Sulfones

Gómez, José Enrique,Cristòfol, àlex,Kleij, Arjan W.

supporting information, p. 3903 - 3907 (2019/02/24)

Tertiary propargylic sulfones are of significant importance in organic synthesis and medicinal chemistry, but to date no general asymmetric synthesis approach has been developed. We disclose a versatile copper-catalyzed sulfonylation of propargylic cyclic carbonates using sodium sulfinates that allows the construction of propargylic sulfones featuring elusive quaternary stereocenters. This method provides the first successful example of such an enantioselective propargylic sulfonylation, features high asymmetric induction, wide functional group tolerance, and scalability, and enables attractive product diversification.

Distal Functional Group Migration for Visible-light Induced Carbo-difluoroalkylation/monofluoroalkylation of Unactivated Alkenes

Yu, Jiajia,Wang, Dongping,Xu, Yan,Wu, Zhen,Zhu, Chen

supporting information, p. 744 - 750 (2017/12/26)

A general and practical protocol for elusive carbo-difluoroalkylation/ monofluoroalkylation of unactivated alkenes based on the distal functional group migration is described. A portfolio of functional groups including heteroaryl, imino, formyl, and alkynyl groups showcase the migratory aptitude. In combination with visible-light photocatalysis, a broad range of di- and mono-fluorinated alkyl ketones are readily obtained in synthetically useful yields under mild reaction conditions. (Figure presented.).

Chiral Ion-Pair Organocatalyst-Promoted Efficient Enantio-selective Reduction of α-Hydroxy Ketones

Zhang, Yiliang,He, Li,Shi, Lei

supporting information, p. 1926 - 1931 (2018/03/27)

The enantioselective reduction of α-hydroxy ketones with catecholborane has been developed employing 5 mol% of an 1,1′-bi-2-naphthol (BINOL)-derived ion-pair organocatalyst. This methodology provides a straightforward access to the corresponding aromatic 1,2-diols in high yields (up to 90%) with excellent enantioselectivities (up to 97%). Furthermore, the α-amino ketones also could be reduced with moderate ee values under mild reaction condition. (Figure presented.).

Enantioselective [3 + 2] Cycloaddition Reaction of Ethynylethylene Carbonates with Malononitrile Enabled by Organo/Metal Cooperative Catalysis

Zhang, Yu-Chen,Zhang, Bo-Wen,Geng, Rui-Long,Song, Jin

supporting information, p. 7907 - 7911 (2019/01/04)

The first catalytic asymmetric decarboxylative [3 + 2] cycloaddition reaction of ethynylethylene carbonates with malononitrile has been developed successfully by an organo/copper cooperative system. This strategy led to a series of optically active polysu

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