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4-(4-CHLORO-PHENYL)-4-OXO-BUTYRIC ACID ETHYL ESTER is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

53503-49-4

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53503-49-4 Usage

Synthesis Reference(s)

Tetrahedron Letters, 26, p. 5559, 1985 DOI: 10.1016/S0040-4039(01)80887-X

Check Digit Verification of cas no

The CAS Registry Mumber 53503-49-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,5,0 and 3 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 53503-49:
(7*5)+(6*3)+(5*5)+(4*0)+(3*3)+(2*4)+(1*9)=104
104 % 10 = 4
So 53503-49-4 is a valid CAS Registry Number.
InChI:InChI=1/C12H13ClO3/c1-2-16-12(15)8-7-11(14)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3

53503-49-4SDS

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 ethyl 4-(4-chlorophenyl)-4-oxobutanoate

1.2 Other means of identification

Product number -
Other names 3-(4-Chlor-benzoyl)-propionsaeure-aethalester

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:53503-49-4 SDS

53503-49-4Relevant academic research and scientific papers

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

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

supporting information, 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.

1-butyl-3-methylimidazolium bromide as a solvent and precatalyst for stetter reaction

Phungpis, Baramee,Hahnvajanawong, Viwat

, p. 2028 - 2032 (2020/09/02)

Stetter reaction between aromatic aldehydes and acrylonitrile/ethyl acrylate performing in [Bmim]Br in the presence of NaOH is described. N-Heterocyclic carbene (NHC) generates in situ is shown to be an efficient catalyst. Benzoin condensation also occured as side reaction.

COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR

-

Paragraph 0157-0159, (2020/12/22)

The invention relates to the field of pharmaceutical chemistry. Specifically, the present invention relates to a series of BET (bromodomain and extra-terminal domain) inhibitors having a novel structure, particularly inhibitors targeting BRD4 (Bromodomain-containing protein 4), and a preparation method and use therefor. The structure thereof is shown in the following general formula (I). Said compounds or a stereoisomer, racemate, geometric isomer, tautomer, prodrug, hydrate, solvate, or crystal form thereof, or a pharmaceutically acceptable salt thereof, and the pharmaceutical compsosition thereof can be used for the treatment and/or prevention of related diseases mediated by bromodomain proteins.

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.

Visible-Light Photocatalytic Preparation of 1,4-Ketoaldehydes and 1,4-Diketones from α-Bromoketones and Alkyl Enol Ethers

García-Santos, William H.,Mateus-Ruiz, Jeferson B.,Cordero-Vargas, Alejandro

supporting information, p. 4092 - 4096 (2019/06/17)

A Ru2+-photocatalyzed, visible-light-mediated ATRA reaction for the straightforward preparation of 1,4-ketoaldehydes, 1,4-diketones, and 1,4-ketoesters, which are of difficult access by other means, is reported herein. This method employs readily accessible α-bromoketones and alkyl vinyl ethers as starting materials, allowing the construction of secondary, tertiary, and challenging quaternary centers. In addition, the synthetic usefulness of this method is illustrated by applying it to the construction of substituted pyrroles.

A process for preparing γ - ketone carbonyl compounds

-

Paragraph 0110; 0111; 0112, (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.

Discovery of Oxime Ethers as Hepatitis B Virus (HBV) Inhibitors by Docking, Screening and In Vitro Investigation

Tan, Jie,Zhou, Min,Cui, Xinhua,Wei, Zhuocai,Wei, Wanxing

, (2018/03/29)

A series of oxime ethers with C6-C4 fragment was designed and virtually bioactively screened by docking with a target, then provided by a Friedel-Crafts reaction, esterification (or amidation), and oximation from p-substituted phenyl derivatives (Methylbenzene, Methoxybenzene, Chlorobenzene). Anti-hepatitis B virus (HBV) activities of all synthesized compounds were evaluated with HepG2.2.15 cells in vitro. Results showed that most of compounds exhibited low cytotoxicity on HepG2.2.15 cells and significant inhibition on the secretion of HBsAg and HBeAg. Among them, compound 5c-1 showed the most potent activity on inhibiting HBsAg secretion (IC50 = 39.93 μM, SI = 28.51). Results of the bioactive screening showed that stronger the compounds bound to target human leukocyte antigen A protein in docking, the more active they were in anti-HBV activities in vitro.

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.

Fused triazole derivatives as gamma secretase modulators

-

Paragraph 0064, (2014/02/15)

The present invention provides fused bicyclic triazole derivatives of Formula (I) useful as gamma secretase modulators (GSM), for the treatment of Alzheimer's disease and related diseases.

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