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4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER is a butyric acid derivative featuring a bromo-substituted phenyl group, which is known for its versatile reactivity and functional groups. This chemical compound is commonly utilized as an intermediate in the synthesis of pharmaceuticals and organic compounds due to its unique structure and properties.
Used in Pharmaceutical Industry:
4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER is used as a chemical intermediate for the synthesis of various pharmaceuticals, leveraging its reactivity and functional groups to facilitate the creation of new drug molecules.
Used in Organic Compounds Synthesis:
In the field of organic chemistry, 4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER is employed as a key intermediate for the synthesis of a range of organic compounds, contributing to the development of novel materials and chemical entities.
It is crucial to handle 4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER with caution, as it is potentially hazardous. Only trained professionals should work with 4-(4-BROMO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER in a controlled laboratory environment to ensure safety and proper use.

30913-87-2

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30913-87-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 30913-87-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,0,9,1 and 3 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 30913-87:
(7*3)+(6*0)+(5*9)+(4*1)+(3*3)+(2*8)+(1*7)=102
102 % 10 = 2
So 30913-87-2 is a valid CAS Registry Number.
InChI:InChI=1/C12H13BrO3/c1-2-16-12(15)8-7-11(14)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3

30913-87-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 4-(4-bromophenyl)-4-oxobutanoate

1.2 Other means of identification

Product number -
Other names 3-[4-Bromobenzoyl]propionic acid,ethyl ester

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:30913-87-2 SDS

30913-87-2Relevant academic research and scientific papers

Tetrakis(4-formylphenyl) ferrocene and preparation method and application thereof

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Paragraph 0051; 0053; 0056, (2021/07/10)

The invention relates to the technical field of material synthesis, in particular to tetrakis(4-formylphenyl) ferrocene as well as a preparation method and application thereof. The preparation method comprises the following steps: in a nitrogen atmosphere, dropwise adding n-butyllithium into a tetrahydrofuran solution in which tetrakis(4-X-phenyl) ferrocene is dissolved, controlling the temperature and stirring, with the X being Br or I; then dropwise adding N,N-dimethylformamide, and after the N,N-dimethylformamide is completely added, controlling the temperature and stirring; transferring the reaction liquid into diluted hydrochloric acid, and stirring to separate out a solid; and filtering the separated solid, washing with methanol, re-dissolving the washed solid with ethyl acetate, and carrying out reduced pressure rotary evaporation on the obtained solution. The prepared tetrakis(4-formylphenyl) ferrocene can be condensed with aromatic amine to form an imine bond, so that a ferrocene structure is combined with a COFs structure to form a novel MCOFs material, the novel MCOFs material has excellent physical and chemical properties of ferrocene, a large number of metal active sites can be provided, and the structure is stable.

Synthesis of Unsymmetrical 1,4-Dicarbonyl Compounds by Photocatalytic Oxidative Radical Additions

Dong, Ya,Li, Ruining,Zhou, Junliang,Sun, Zhankui

, p. 6387 - 6390 (2021/08/23)

Herein we report a photocatalytic oxidative radical addition reaction for the synthesis of unsymmetrical 1,4-dicarbonyl compounds. This reaction utilizes a desulfurization process to generate electrophilic radicals, which add to α-halogenated alkenes and undergo further oxidation to deliver 1,4-dicarbonyl compounds. This mild and highly efficient method provides a valuable alternative to known strategies.

Nickel-Catalyzed Transformation of Diazoacetates to Alkyl Radicals Using Alcohol as a Hydrogen Source

Zhao, Jingjing,Li, Pan,Xu, Yaohua,Shi, Yixin,Li, Fuwei

supporting information, p. 9386 - 9390 (2019/11/28)

A nickel-catalyzed transformation of diazoacetates to α-carbonyl methylene radicals has been disclosed in the presence of hyperoxide using ethanol as a hydrogen source and solvent. This strategy is successfully applied in the formation of indolin-2-ones or 1,4-dicarbonyl compounds from acrylamides or enamides in moderate to good yields. These reactions undergo radical addition onto C-C double bonds followed by a cyclization/oxidation or an oxidation/hydrolysis process, respectively.

Combined Photoredox/Enzymatic C?H Benzylic Hydroxylations

Betori, Rick C.,May, Catherine M.,Scheidt, Karl A.

supporting information, p. 16490 - 16494 (2019/11/03)

Chemical transformations that install heteroatoms into C?H bonds are of significant interest because they streamline the construction of value-added small molecules. Direct C?H oxyfunctionalization, or the one step conversion of a C?H bond to a C?O bond, could be a highly enabling transformation due to the prevalence of the resulting enantioenriched alcohols in pharmaceuticals and natural products,. Here we report a single-flask photoredox/enzymatic process for direct C?H hydroxylation that proceeds with broad reactivity, chemoselectivity and enantioselectivity. This unified strategy advances general photoredox and enzymatic catalysis synergy and enables chemoenzymatic processes for powerful and selective oxidative transformations.

A process for preparing γ - ketone carbonyl compounds

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Paragraph 0114; 0115; 0116, (2018/07/30)

The present invention discloses a gamma-ketone carbonyl compound preparation method, wherein in the presence of an oxidizing agent, a styrene compound and ethyl diazoacetate are adopted as reactants, copper or a copper compound is adopted as a catalyst, DABCO is adopted as an alkali, and a free radical reaction is performed in a polar solvent isopropyl alcohol to obtain the product gamma-ketone carbonyl compound. According to the method of the present invention, the reaction activity of the catalyst is high, the reaction conditions are mild, the substrate application range is wide, the post-treatment is convenient, the yield of the target product is high, the preparation process is simple, and the sources of the used raw materials are wide.

Cu-based carbene involved in a radical process: A new crossover reaction to construct γ-peroxy esters and 1,4-dicarbonyl compounds

Jiang, Jiewen,Liu, Jiajun,Yang, Ling,Shao, Ying,Cheng, Jiang,Bao, Xiaoguang,Wan, Xiaobing

supporting information, p. 14728 - 14731 (2015/10/05)

Through merging Cu-based carbenes in a radical process, a novel crossover reaction has been successfully established, leading to the facile and efficient syntheses of various γ-peroxy esters and 1,4-dicarbonyl compounds. Considering that both Cu-based carbene complexes and radicals are extremely reactive, and therefore exist only in extraordinarily low concentrations, the high selectivity of this coupling reaction is unusual.

Tris(4-methoxylphenyl)phosphine-catalyzed C-C bond formation reaction: Mutual addition of aromatic aldehydes and ethyl acrylate

Teng, Jun-Jiang,Qiao, Yan-Hui,Zhang, Qing,Li, Chun-Hai,Huang, Min

, p. 848 - 858 (2013/02/25)

A highly efficient intermolecular mutual addition of aromatic aldehydes with ethyl acrylate was developed by using tris(4-methoxylphenyl)phosphine as the catalyst. The reaction corresponds to the construction of 1,4-dicarbonyl compound and allylic alcohol

Design and synthesis of a siderophore conjugate as a potent PSMA inhibitor and potential diagnostic agent for prostate cancer

Ding, Pingyu,Helquist, Paul,Miller, Marvin J.

, p. 1648 - 1657 (2008/09/20)

A siderophore conjugate was designed as a potential PSMA inhibitor and diagnostic agent for prostate cancer. A semi-rigid spacer was incorporated to avoid competitive participation of iron binding by the enzyme inhibitor relative to the siderophore component. Biological test results showed that, even with the extended scaffold, this compound is a potent PSMA inhibitor with an IC50 of 4 nM. This siderophore conjugate may be useful for detection of prostate-derived cancer cells by magnetic resonance imaging (MRI).

Selective inhibition of matrix metalloproteinase isozymes and in vivo protection against emphysema by substituted γ-keto carboxylic acids

Ma, Dawei,Jiang, Yongwen,Chen, Fangping,Gong, Li-Kun,Ding, Ke,Xu, Yong,Wang, Renxiao,Ge, Aihua,Ren, Jin,Li, Jingya,Li, Jia,Ye, Qizhuang

, p. 456 - 458 (2007/10/03)

The synthesis and matrix metalloproteinase (MMP) inhibitory activity of a series of γ-keto carboxylic acids are described. Among nine MMP isozymes tested, compound 1j displays selective inhibition of MMP-2, -9, and -12 with IC50 values between

Efficient synthesis of γ-keto esters from enamines and EDA

Huang, Dan,Yan, Ming,Zhao, Wei-Jie,Shen, Qi

, p. 745 - 750 (2007/10/03)

The reaction of enamines with ethyl diazoacetate (EDA) catalyzed by dirhodium and copper complexes provided γ-keto esters in good yields. The influences of catalyst, reaction solvent, temperature, and structure of enamines on this transformation were inve

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