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3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER, with the molecular formula C12H12F3O2, is an ester derivative of 3-(4-trifluoromethyl-phenyl)-propionic acid. It is a white solid with a melting point of 60-63°C, sparingly soluble in water, and soluble in most organic solvents. This chemical compound is recognized for its anti-inflammatory and analgesic properties, which make it a valuable ingredient in pharmaceutical formulations. Additionally, it is utilized in the synthesis of various organic compounds and drug intermediates.

82989-27-3

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82989-27-3 Usage

Uses

Used in Pharmaceutical Industry:
3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER is used as an active pharmaceutical ingredient for its anti-inflammatory and analgesic properties, contributing to the development of medications aimed at reducing inflammation and pain.
Used in Agrochemical Industry:
3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER is used as a key intermediate in the synthesis of agrochemicals, playing a crucial role in the development of products for agricultural applications.
Used in Organic Synthesis:
3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID ETHYL ESTER is used as a versatile building block in the synthesis of a wide range of organic compounds, including drug intermediates, which are essential for the production of various pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 82989-27-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,2,9,8 and 9 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 82989-27:
(7*8)+(6*2)+(5*9)+(4*8)+(3*9)+(2*2)+(1*7)=183
183 % 10 = 3
So 82989-27-3 is a valid CAS Registry Number.
InChI:InChI=1/C12H13F3O2/c1-2-17-11(16)8-5-9-3-6-10(7-4-9)12(13,14)15/h3-4,6-7H,2,5,8H2,1H3

82989-27-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 3-[4-(trifluoromethyl)phenyl]propanoate

1.2 Other means of identification

Product number -
Other names 3-(4-trifluoromethyl-phenyl)-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:82989-27-3 SDS

82989-27-3Relevant academic research and scientific papers

METHOD FOR PRODUCING 3-ARYLPROPIONAMIDE COMPOUND AND 3-ARYLPROPIONIC ACID ESTER COMPOUND

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Paragraph 0117, (2020/06/15)

The present invention provides a method for industrially producing: a pyrimidine compound having pest control efficacy; 2-[4-(trifluoromethyl)phenyl]ethylamine which is a production intermediate of the pyrimidine compound; a phenylethylamine compound usef

Copper(i)-catalysed transfer hydrogenations with ammonia borane

Korytiaková, Eva,Thiel, Niklas O.,Pape, Felix,Teichert, Johannes F.

supporting information, p. 732 - 735 (2017/01/13)

Highly Z-selective alkyne transfer semihydrogenations and conjugate transfer hydrogenations of enoates can be effected by employing a readily available and air-stable copper(i)/N-heterocyclic carbene (NHC) complex, [IPrCuOH]. As an easy to handle and potentially recyclable H2 source, ammonia borane (H3NBH3) is used.

Base directed palladium catalysed Heck arylation of acrolein diethyl acetal in water

Al-Maksoud, Walid,Menuel, Stéphane,Jahjah, Mohamad,Monflier, Eric,Pinel, Catherine,Djakovitch, Laurent

, p. 250 - 258 (2013/11/19)

The selective Heck arylation of acrolein diethyl acetal catalysed by [Pd(NH3)4]Cl2 in the presence of RAME-β-CD in water as solvent is described. Depending on the base (i.e. NaOAc or HN(i-Pr)2) good to high selectivity's towards, respectively, the cinnamaldehydes 2 or the 3-arylpropionic esters 1 were achieved. The results support that depending on the base different palladium intermediate complexes are formed. Using NaOAc, {[ArPdX(H2O)2]} complex is preferentially generated giving the cinnamaldehyde 2. On the other hand, in the presence of HN(i-Pr)2, a L-type ligand, [ArPdX(HN(i-Pr) 2(H2O)] or [ArPdX(HN(i-Pr)2(HN(i-Pr) 2)] will be generated leading to the formation of the 3-arylpropionic ester 1. For the last, coordinated amine participates very probably to the formation of the esters through intramolecular syn β-H elimination.

Photodriven Transfer Hydrogenation of Olefins

Leow, Dasheng,Chen, Ying-Ho,Hung, Tzu-Hang,Su, Ying,Lin, Yi-Zhen

supporting information, p. 7347 - 7352 (2016/02/18)

An improved practical method for the photodriven diimide reduction of olefins was investigated. This catalyst-free procedure proceeds at ambient temperature, utilizes air as oxidant and a lower hydrazine loading, and produces inert nitrogen gas as the sole byproduct. Several functional groups were tolerated, and in some cases, the reaction was chemoselective. Challenging substrates such as cinnamate ester derivatives and trans-stilbene were reduced in excellent yields. The small amount of UVA rays emitted from a household compact fluorescent light bulb was proposed to enable the cis/trans isomerization of the diimide and to promote the loss of hydrogen from the diimide.

Fluorous oxime palladacycle: A precatalyst for carbon-carbon coupling reactions in aqueous and organic medium

Susanto, Woen,Chu, Chi-Yuan,Ang, Wei Jie,Chou, Tzyy-Chao,Lo, Lee-Chiang,Lam, Yulin

, p. 2729 - 2742 (2012/05/21)

To facilitate precatalyst recovery and reuse, we have developed a fluorous, oxime-based palladacycle 1 and demonstrated that it is a very efficient and versatile precatalyst for a wide range of carbon-carbon bond formation reactions (Suzuki-Miyaura, Sonogashira, Stille, Heck, Glaser-type, and Kumada) in either aqueous or organic medium under microwave irradiation. Palladacycle 1 could be recovered through F-SPE in various coupling reactions with recovery ranging from 84 to 95% for the first cycle. Inductively coupled plasma optical emission spectrometry (ICP-OES) analyses of the Pd content in the crude product from each class of transformation indicated extremely low levels of leaching and the palladacycle could be reused four to five times without significant loss of activity.

Direct method for carbon-carbon bond formation: The functional group tolerant cobalt-catalyzed alkylation of aryl halides

Amatore, Muriel,Gosmini, Corinne

supporting information; experimental part, p. 5848 - 5852 (2010/09/03)

(Figure Presented). A new protocol for the direct cobaltcatalyzed alkylation of aryl halides has been developed that proceeds smoothly in the presence of phosphanes or bipyridines as ligands with a variety of alkyl halides, including challenging alkyl electrophiles bearing β hydrogen atoms (see scheme). Sensitive functional groups are tolerated on both coupling partners, thus, significantly extending the general scope of transition-metal-catalyzed alkylation of aryl halides.

C-C bond formation from alcohols and malonate half esters using borrowing hydrogen methodology

Pridmore, Simon J.,Williams, Jonathan M.J.

scheme or table, p. 7413 - 7415 (2009/05/11)

Alcohols have been used as alkylating agents in a decarboxylative reaction with malonate half esters via a borrowing hydrogen pathway catalysed by readily available Ru(PPh3)3Cl2.

CoBr2(Bpy): An efficient catalyst for the direct conjugate addition of aryl halides or triflates onto activated olefins

Amatore, Muriel,Gosmini, Corinne,Perichon, Jacques

, p. 6130 - 6134 (2007/10/03)

An efficient cobalt-catalyzed method devoted to the direct conjugate addition of functionalized aryl compounds onto Michael acceptors is described. The CoBr2(2,2′-bipyridine) complex appears to be an extremely suitable catalyst for the activation of a variety of aromatic reagents ranging from halides to triflates functionalized by reactive groups. This procedure allows for the synthesis of compounds resulting from 1,4-addition in good to excellent yields. The versatility of this original process represents a simple alternative to most known methods using organometallic reagents.

Direct synthesis of 3-arylpropionic acids by tetraphosphine/palladium catalysed Heck reactions of aryl halides with acrolein ethylene acetal

Lemhadri, Mhamed,Doucet, Henri,Santelli, Maurice

, p. 11533 - 11540 (2007/10/03)

Through the use of [PdCl(C3H5)]2/Cis,cis, cis-1,2,3,4-tetrakis(diphenylphosphinomethyl)cyclopentane as a catalyst, a range of aryl bromides undergoes Heck reaction with acrolein ethylene acetal. With this acetal, the selective formation of 3-arylpropionic acids/esters was observed. The functional group tolerance on the aryl halide is remarkable; substituents such as fluoro, methyl, methoxy, acetyl, formyl, benzoyl, nitro or nitrile are tolerated. Furthermore, this catalyst can be used at low loading, even for reactions of sterically hindered aryl bromides. Graphical Abstract.

Dioxane derivatives, liquid-crystal compositions containing the same, and liquid-crystal display devices made by using the same

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, (2008/06/13)

The present invention provides liquid crystalline compounds having a high voltage holding ratio and a remarkably high Δε value, electric and chemical stability, and having good compatibility with known liquid crystalline compounds, liquid crystal compositions containing the compound, and liquid crystal display devices constituted by using the compounds. The liquid crystalline compounds of the present invention are particular dioxane derivatives represented by general formula (1). Further, the present invention relates to liquid crystal compositions characterized in that the compositions comprise at least one of the derivatives, and liquid crystal display devices constituted by using the compositions.

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