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3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE, also known as 3-(Trifluoromethyl)benzenepropanal, is a chemical compound with the CAS number 21172-41-8. It is a colorless oil and is primarily used in organic synthesis due to its unique chemical properties.

21172-41-8

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21172-41-8 Usage

Uses

1. Used in Organic Synthesis:
3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE is used as a key intermediate in the synthesis of various organic compounds. Its application in this field is due to its reactivity and the ability to form a wide range of products through different chemical reactions.
2. Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE is used as a building block for the development of new drugs. Its unique structure allows for the creation of molecules with specific biological activities, making it a valuable asset in drug discovery and design.
3. Used in Fragrance Industry:
3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE is also utilized in the fragrance industry to create unique and complex scents. Its chemical properties contribute to the development of novel fragrances that can be used in various personal care and household products.
4. Used in Chemical Research:
As a colorless oil with specific chemical properties, 3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE is an important compound for research purposes. It is used in various chemical studies to understand its reactivity, stability, and potential applications in different fields.

Check Digit Verification of cas no

The CAS Registry Mumber 21172-41-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,1,1,7 and 2 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 21172-41:
(7*2)+(6*1)+(5*1)+(4*7)+(3*2)+(2*4)+(1*1)=68
68 % 10 = 8
So 21172-41-8 is a valid CAS Registry Number.

21172-41-8SDS

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 3-[3-(trifluoromethyl)phenyl]propanal

1.2 Other means of identification

Product number -
Other names -

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:21172-41-8 SDS

21172-41-8Relevant academic research and scientific papers

Access to Trisubstituted Fluoroalkenes by Ruthenium-Catalyzed Cross-Metathesis

Nouaille, Augustin,Pannecoucke, Xavier,Poisson, Thomas,Couve-Bonnaire, Samuel

supporting information, p. 2140 - 2147 (2021/03/06)

Although the olefin metathesis reaction is a well-known and powerful strategy to get alkenes, this reaction remained highly challenging with fluororalkenes, especially the Cross-Metathesis (CM) process. Our thought was to find an easy accessible, convenient, reactive and post-functionalizable source of fluoroalkene, that we found as the methyl 2-fluoroacrylate. We reported herein the efficient ruthenium-catalyzed CM reaction of various terminal and internal alkenes with methyl 2-fluoroacrylate giving access, for the first time, to trisubstituted fluoroalkenes stereoselectively. Unprecedent TON for CM involving fluoroalkene, up to 175, have been obtained and the reaction proved to be tolerant and effective with a large range of olefin partners giving fair to high yields in metathesis products. (Figure presented.).

Three-Component, Interrupted Radical Heck/Allylic Substitution Cascade Involving Unactivated Alkyl Bromides

Bellotti, Peter,Glorius, Frank,Heidrich, Bastian,Huang, Huan-Ming,Pflüger, Philipp M.,Schwarz, J. Luca

supporting information, p. 10173 - 10183 (2020/06/27)

Developing efficient and selective strategies to approach complex architectures containing (multi)stereogenic centers has been a long-standing synthetic challenge in both academia and industry. Catalytic cascade reactions represent a powerful means of rapidly leveraging molecular complexity from simple feedstocks. Unfortunately, carrying out cascade Heck-type reactions involving unactivated (tertiary) alkyl halides remains an unmet challenge owing to unavoidable β-hydride elimination. Herein, we show that a modular, practical, and general palladium-catalyzed, radical three-component coupling can indeed overcome the aforementioned limitations through an interrupted Heck/allylic substitution sequence mediated by visible light. Selective 1,4-difunctionalization of unactivated 1,3-dienes, such as butadiene, has been achieved by employing different commercially available nitrogen-, oxygen-, sulfur-, or carbon-based nucleophiles and unactivated alkyl bromides (>130 examples, mostly >95:5 E/Z, >20:1 rr). Sequential C(sp3)-C(sp3) and C-X (N, O, S) bonds have been constructed efficiently with a broad scope and high functional group tolerance. The flexibility and versatility of the strategy have been illustrated in a gram-scale reaction and streamlined syntheses of complex ether, sulfone, and tertiary amine products, some of which would be difficult to access via currently established methods.

Efficient One-Pot Reductive Aminations of Carbonyl Compounds with Aquivion-Fe as a Recyclable Catalyst and Sodium Borohydride

Airoldi, Veronica,Piccolo, Oreste,Roda, Gabriella,Appiani, Rebecca,Bavo, Francesco,Tassini, Riccardo,Paganelli, Stefano,Arnoldi, Sebastiano,Pallavicini, Marco,Bolchi, Cristiano

supporting information, p. 162 - 168 (2019/12/11)

A one-pot reductive amination of aldehydes and ketones with NaBH4 was developed with a view to providing efficient, economical and greener synthetic conditions. A recyclable iron-based Lewis catalyst, Aquivion-Fe, was used to promote imine formation in cyclopentyl methyl ether, followed by the addition of a small amount of methanol to the reaction mixture to enable C=N reduction by NaBH4. The protocol, applied to a wide number of amines and carbonyl compounds, resulted in ever complete conversion of these latter with excellent chemoselectivity towards the expected amination products in the most cases. Isolated yields, determined for a selection of the screened substrates, were found consistent with the previously obtained conversion and selectivity data. Cinacalcet, an important active pharmaceutical ingredient, was efficiently prepared by the title procedure.

Method for reducing carboxylic acid into aldehyde compounds

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Paragraph 0039-0042, (2020/02/27)

The invention discloses a method for reducing carboxylic acid into aldehyde compounds, and belongs to the field of organic chemical synthesis. Specifically, in an argon atmosphere, a carboxylic acid compound, a transition metal nickel compound, an anhydride compound, a ligand and a reducing agent are dissolved in an organic solvent, the mixture is heated and subjected to stirring reaction, after the reaction is finished, the pressure is reduced to remove the organic solvent, column chromatography separation is performed, and various aldehyde compounds are obtained. The method has the advantages of simple synthesis steps, mild reaction conditions, simplicity and easiness in operation, realization of successful reduction of the carboxylic acid compound into the aldehyde organic compounds, small use amount of the reaction catalyst, high product yield, and provision of a new approach for reduction of the carboxylic acid compound into the aldehyde compounds. Compared with a conventional method, the method has the advantages that raw materials are cheap, easy to obtain and environmentally friendly, substrate universality and functional group compatibility are improved, and the method hascertain innovativeness and unique research significance in organic synthesis methodology.

Carbene-Catalyzed α-Carbon Amination of Chloroaldehydes for Enantioselective Access to Dihydroquinoxaline Derivatives

Huang, Ruoyan,Chen, Xingkuan,Mou, Chengli,Luo, Guoyong,Li, Yongjia,Li, Xiangyang,Xue, Wei,Jin, Zhichao,Chi, Yonggui Robin

supporting information, p. 4340 - 4344 (2019/06/14)

An NHC-catalyzed α-carbon amination of chloroaldehydes was developed. Cyclohexadiene-1,2-diimines are used as amination reagents and four-atom synthons. Our reaction affords optically enriched dihydroquinoxalines that are core structures in natural products and synthetic bioactive molecules.

Copper(i)-catalysed stereoselective debromoborylation of aliphatic 1,1-dibromo-1-alkenes with bis(pinacolato)diboron

Pang, Yadong,Kojima, Ryoto,Ito, Hajime

supporting information, p. 6187 - 6190 (2018/09/10)

A stereoselective debromoborylation of aliphatic 1,1-dibromo-1-alkenes to prepare (Z)-1-bromo-1-alkenylboronate esters using copper(i) catalysts was developed. The debromoborylation of various aliphatic 1,1-dibromo-1-alkenes in the presence of a copper(i) catalyst and bis(pinacolato)diboron proceeded smoothly to produce (Z)-1-bromo-1-alkenylboronate esters in good yields with only Z geometry.

Preparation method for m-trifluoromethylphenol benzenepropanal

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Paragraph 0036-0104, (2019/01/14)

The invention relates to a preparation method for m-trifluoromethylphenol benzenepropanal. The preparation method for the m-trifluoromethylphenol benzenepropanal mainly solves the problems in the prior art that the conversion rate of the m-trifluoromethylphenol styrene is low, and the selectivity of the m-trifluoromethylphenol benzenepropanal is low and comprises the step that the m-trifluoromethylphenol styrene and hydrogen react with a carbon monoxide material and a catalyst composition to obtain the m-trifluoromethylphenol benzenepropanal, wherein the catalyst composition comprises a rhodium complex and a dicyclopentadienyl high valent metal cation diphosphine compound, the technical problems are better solved, and the preparation method can be applied to industrial production of the m-trifluoromethylphenol benzenepropanal.

Synthesis and in vitro antiproliferative activity of C5-benzyl substituted 2-amino-pyrrolo[2,3-d]pyrimidines as potent Hsp90 inhibitors

Lee, Ju-Hyeon,Shin, Sang Chul,Seo, Seon Hee,Seo, Young Ho,Jeong, Nakcheol,Kim, Chan-Wha,Kim, Eunice EunKyeong,Keum, Gyochang

supporting information, p. 237 - 241 (2016/12/27)

A novel series of heat shock protein 90 (Hsp90) inhibitors was identified by X-ray crystal analysis of complex structures at solvent-exposed exit pocket C. The 2-amino-pyrrolo[2,3-d]pyrimidine derivatives, 7-deazapurines substituted with a benzyl moiety at C5, showed potent Hsp90 inhibition and broad-spectrum antiproliferative activity against NCI-60 cancer cell lines. The most potent compound, 6a, inhibited Hsp90 with an IC50of 36?nM and showed a submicromolar mean GI50value against NCI-60 cell lines. The interaction of 6a at the ATP-binding pocket of Hsp90 was confirmed by X-ray crystallography and Western blot analysis.

Switchable Site-Selective Catalytic Carboxylation of Allylic Alcohols with CO2

van Gemmeren, Manuel,B?rjesson, Marino,Tortajada, Andreu,Sun, Shang-Zheng,Okura, Keisho,Martin, Ruben

supporting information, p. 6558 - 6562 (2017/05/29)

A switchable site-selective catalytic carboxylation of allylic alcohols has been developed in which CO2 is used with dual roles, both facilitating C?OH cleavage and as a C1 source. This protocol is characterized by its mild reaction conditions, absence of stoichiometric amounts of organometallic reagents, broad scope, and exquisite regiodivergency which can be modulated by the type of ligand employed.

Novel pyrrolo pyrimidine derivatives and composition for preventing or treating cancer comprising the same

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Paragraph 0113; 0222; 0223; 0224; 0225, (2016/11/24)

The present invention relates to a novel pyrrolo pyrimidine compound represented by chemical formula 1, pharmaceutically acceptable salt or hydrate thereof, a manufacturing method thereof, and a pharmaceutical composition comprising the compound for preventing or treating cancer. In chemical formula 1, R^1, R^2, R^3, R^4, R^5, and X are the same as defined in the specification.COPYRIGHT KIPO 2016

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