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3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER is an organic compound that features a carboxylic acid ester functional group and a trifluoromethylphenyl moiety. It is known for its unique chemical properties and reactivity, making it a versatile building block in the synthesis of various complex organic molecules.

106263-53-0

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106263-53-0 Usage

Uses

Used in Pharmaceutical Industry:
3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER is used as a reactant for the synthesis of complex pharmaceutical compounds due to its unique reactivity and functional groups.
Used in Chemical Synthesis:
3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER is used as a chiral Lewis base in the catalysis of stereoselective reduction reactions with trichlorosilane and water, enabling the formation of specific enantiomers with high selectivity.
Used in Organic Chemistry Research:
In the field of organic chemistry, 3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER is used as a reactant in various reactions, such as in-catalyzed cycloisomerization, guanidine-catalyzed enantioselective Michael reactions, transesterification reactions, and intermolecular coupling reactions, contributing to the development of novel organic compounds and materials.
Used in Material Science:
3-OXO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER can be employed as a building block in the synthesis of advanced materials, such as polymers and composites, due to its unique chemical properties and reactivity.

Check Digit Verification of cas no

The CAS Registry Mumber 106263-53-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,6,2,6 and 3 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 106263-53:
(8*1)+(7*0)+(6*6)+(5*2)+(4*6)+(3*3)+(2*5)+(1*3)=100
100 % 10 = 0
So 106263-53-0 is a valid CAS Registry Number.
InChI:InChI=1/C12H11F3O3/c1-2-18-11(17)7-10(16)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3

106263-53-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate

1.2 Other means of identification

Product number -
Other names ethyl 3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate

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:106263-53-0 SDS

106263-53-0Relevant academic research and scientific papers

A one-pot copper(II)-catalyzed tandem synthesis of 2-substituted pyrrolo[1,2-b]pyridazin-4(1H)-ones

Tan, Cun,Xiang, Haoyue,He, Qian,Yang, Chunhao

, p. 3656 - 3660 (2015)

A one-pot copper(II)-catalyzed tandem synthesis of 2-substituted pyrrolo[1,2-b]pyridazin-4(1H)-ones from N-aminopyrroles was developed. This tandem reaction involves a Conrad-Limpach-type reaction, including the thermal condensation of N-aminopyrroles with the carbonyl group of β-oxo esters followed by the cyclization of Schiff base intermediates. Compared to the traditional Conrad-Limpach quinoline synthesis, we herein successfully applied copper(II) as a catalyst in this transformation to furnish 2-substituted pyrrolo[1,2-b]pyridazin-4(1H)-ones for the first time. Most of the substrates bearing electron-donating (EDG) and electron-withdrawing (EWG) groups worked well with this procedure. The corresponding products could be converted directly into diverse pyrrolo[1,2-b]pyridazine for drug discovery and materials science. A copper(II)-catalyzed tandem synthesis of 2-substituted pyrrolo[1,2-b]pyridazin-4(1H)-ones from N-aminopyrroles was developed, and the corresponding products could be converted directly into diverse pyrrolo[1,2-b]pyridazine for drug discovery and materials science.

An efficient route for the synthesis of N-(1H-benzo[d]imidazol-2-yl)benzamide derivatives promoted by CBr4 in one pot

Li, Songhua,Li, Yunyi,Ma, Chen,Xie, Caixia

, (2020)

A metal-free one-pot method for the synthesis of N-(1H-benzo[d]imidazol-2-yl)benzamide derivatives was proposed mediated by CBr4. The reaction went through ring formation and opening processes with only two protons leaving and the thermodynamically favorable products were selectively formed in moderate to good yields.

Ligand steric and electronic effects on β-ketiminato neutral nickel(II) olefin polymerization catalysts

Song, Dong-Po,Shi, Xin-Cui,Wang, Yong-Xia,Yang, Ji-Xing,Li, Yue-Sheng

, p. 966 - 975 (2012)

A series of novel neutral nickel complexes 3a-g and 4a-d bearing the β-ketiminato ligands [(2,6-iPr2C6H 3)N=CHCHC(R)O]Ni(R′)(L) (for 3a-g, R′ = Me, L = Py, and R = tBu (3a), Ph (3b), 1-naphthyl (3c), 9-anthryl (3d), PhNMe 2(p) (3e), PhOMe(p) (3f), PhCF3(p) (3g); for 4a-d, R′ = Ph, L = PPh3, and tBu (4a), Ph (4b), 1-naphthyl (4c), 9-anthryl (4d)) have been synthesized and characterized. The molecular structures of 3b-d,f,g and 4a,c were further confirmed by X-ray crystallographic analysis. These complexes were employed in ethylene polymerization to systematically investigate ligand steric and electronic effects on the catalytic properties, including activity, molecular weight (MW), and branching number of the polyethylene obtained. The complexes bearing more bulky ligands showed higher activities and produced more branched polyethylene. Electron-deficient ligands were found to increase the catalytic activity, decrease the MW, and enhance the branching content of the polyethylene. In addition, phosphine NiII-Ph complexes 4a-d proved to be more active than the corresponding pyridine NiII-Me complexes 3a-d, probably due to the easier dissociation of PPh3 relative to a pyridine from a nickel center.

Annulation-retro-Claisen cascade of bifunctional peroxides for the synthesis of lactone natural products

Hu, Lin,Li, Jialin,Li, Xuemin,Xu, Qianlan

, p. 274 - 277 (2022/01/03)

A new and highly efficient annulation-retro-Claisen cascade, which involves the [4 + 1] or [5 + 1] annulation of α-benzoylacetates with bielectrophilic peroxides and a subsequent debenzoylation process under mild basic conditions, has been developed for the rapid construction of valuable tetrahydrofuran- and dihydropyran-2-carboxylates in good yields. By employing the new reaction, the unified total synthesis of γ- and δ-lactone natural products such as (±)-tanikolide, (±)-goniothalamins, (±)-7-epi-goniodiol, and (±)-plakolide A has been accomplished in 4-7 steps.

Electrochemical Oxidative Cyclization: Synthesis of Polysubstituted Pyrrole from Enamines

Chen, Zhiwei,Shi, Guang,Tang, Wei,Sun, Jie,Wang, Wenxing

supporting information, p. 951 - 955 (2021/02/03)

A conceptually novel method for the preparation of pyrrole is described by electrochemical-oxidation-induced intermolecular annulation via enamines. In a simple undivided cell, based on a sodium acetate-facilitated, polysubstituted pyrrole derivations has been facilely synthesized under external oxidant-free condition. This electrosynthetic approach providing an environmentally benign protocol for C?C bond cross-coupling and oxidative annulation, which features unparalleled broad scope of substrates and practicality.

Construction of isoxazolone-fused phenanthridinesviaRh-catalyzed cascade C-H activation/cyclization of 3-arylisoxazolones with cyclic 2-diazo-1,3-diketones

Hu, Wangcheng,He, Xinwei,Zhou, Tongtong,Zuo, Youpeng,Zhang, Shiwen,Yang, Tingting,Shang, Yongjia

supporting information, p. 552 - 556 (2021/02/06)

A Rh(iii)-catalyzed cascade C-H activation/intramolecular cyclization of 3-aryl-5-isoxazolones with cyclic 2-diazo-1,3-diketones was described, leading to the formation of isoxazolo[2,3-f]phenanthridine skeletons. The protocol features the simultaneous one-pot formation of two new C-C/C-N bonds and one heterocycle in moderate-to-good yields with good functional group compatibility. It is amenable to large-scale synthesis and further transformation.

Sulfur-controlled and rhodium-catalyzed formal (3 + 3) transannulation of thioacyl carbenes with alk-2-enals and mechanistic insights

Wu, Qiuyue,Dong, Ziyang,Xu, Jiaxi,Yang, Zhanhui

supporting information, p. 3173 - 3180 (2021/04/21)

A rhodium-catalyzed denitrogenative formal (3 + 3) transannulation of 1,2,3-thiadiazoles with alk-2-enals is achieved, producing 2,3-dihydrothiopyran-4-ones in moderate to excellent yields. An inverse KIE of 0.49 is obtained, suggesting the reversibility of the oxidative addition of thioacyl Rh(i) carbenes to alk-2-enals. The late-stage structural modifications of steroid compounds are realized. Moreover, our studies show that thioacyl carbenes have different reactivities to those of α-oxo and α-imino carbenes, and highlight the importance of heteroatoms in deciding the reactivities of heterovinyl carbenes.

Radical Aza-Cyclization of α-Imino-oxy Acids for Synthesis of Alkene-Containing N-Heterocycles via Dual Cobaloxime and Photoredox Catalysis

Tu, Jia-Lin,Liu, Jia-Li,Tang, Wan,Su, Ma,Liu, Feng

supporting information, p. 1222 - 1226 (2020/02/15)

Nitrogen-containing heterocycles are prevalent in both naturally and synthetically bioactive molecules. We report herein an unprecedented protocol for radical aza-cyclization of α-imino-oxy acids with pendant alkenes via synergistic photoredox and cobaloxime catalysis. With or without alkenes as the intermolecular cross-coupling partners, the transformation provides a variety of corresponding alkene-containing dihydropyrrole products in satisfactory yields. In the presence of external alkenes, the tandem reaction generates E-selective coupling products with excellent chemo- and stereoselectivity.

Desymmetrization of meso-dicarbonatecyclohexene with β-Hydrazino carboxylic esters via a Pd-catalyzed allylic substitution cascade

Xu, Kai,Zheng, Yan,Ye, Yong,Liu, Delong,Zhang, Wanbin

supporting information, p. 8836 - 8841 (2020/11/30)

The desymmetrization of meso-dicarbonatecyclohexene with β-hydrazino carboxylic esters has been achieved via a RuPHOX/Pd-catalyzed allylic substitution cascade for the construction of chiral hexahydrocinnoline derivatives with high performance. Mechanistic studies reveal that the reaction exploits a pathway different from that of our previous work and that the first nitrogen nucleophilic process is the rate-determining step. The protocol could be conducted on a gram scale without any loss of catalytic behavior, and the corresponding chiral hexahydrocinnolines can undergo diverse transformations.

Modular Tuning of Electrophilic Reactivity of Iridium Nitrenoids for the Intermolecular Selective α-Amidation of β-Keto Esters

Lee, Minhan,Jung, Hoimin,Kim, Dongwook,Park, Jung-Woo,Chang, Sukbok

supporting information, p. 11999 - 12004 (2020/08/06)

We report herein an Ir-catalyzed intermolecular amino group transfer to β-keto esters (amides) to access α-aminocarbonyl products with excellent chemoselectivity. The key strategy was to engineer electrophilicity of the putative Ir-nitrenoids by tuning electronic property of the κ2-N,O chelating ligands, thus facilitating nucleophilic addition of enol π-bonds of 1,3-dicarbonyl substrates.

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