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2-(TRIFLUOROACETYL)INDAN-1-ONE, a chemical compound with the molecular formula C11H7F3O, is a yellow crystalline solid. It is renowned for its strong electron-withdrawing properties due to the trifluoroacetyl group, which makes it a valuable building block in the development of pharmaceutical and agrochemical products. Its unique structure and properties position it as a significant tool in medicinal chemistry and drug discovery.

576-12-5

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576-12-5 Usage

Uses

Used in Organic Synthesis:
2-(TRIFLUOROACETYL)INDAN-1-ONE is used as a reagent in organic synthesis for its strong electron-withdrawing properties, which facilitate various chemical reactions and the formation of new compounds.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 2-(TRIFLUOROACETYL)INDAN-1-ONE is utilized as a key intermediate in the development of new drugs. Its unique structure allows for the creation of molecules with specific therapeutic properties.
Used in Medicinal Chemistry:
2-(TRIFLUOROACETYL)INDAN-1-ONE is employed as a building block in medicinal chemistry to design and synthesize novel compounds with potential therapeutic applications.
Used in Drug Discovery:
In the field of drug discovery, 2-(TRIFLUOROACETYL)INDAN-1-ONE is used to explore its potential as a lead compound for the development of new pharmaceuticals, given its electron-withdrawing properties and its capacity to influence the activity of other molecules in a medicinal context.
Used in Agrochemical Development:
2-(TRIFLUOROACETYL)INDAN-1-ONE is also used in the agrochemical industry for the synthesis of new pesticides and other crop protection agents, leveraging its reactivity and structural features to enhance the effectiveness of these products.

Check Digit Verification of cas no

The CAS Registry Mumber 576-12-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,7 and 6 respectively; the second part has 2 digits, 1 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 576-12:
(5*5)+(4*7)+(3*6)+(2*1)+(1*2)=75
75 % 10 = 5
So 576-12-5 is a valid CAS Registry Number.

576-12-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2,2,2-trifluoroacetyl)-2,3-dihydroinden-1-one

1.2 Other means of identification

Product number -
Other names 2-Trifluoroacetyl-1-indanone

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:576-12-5 SDS

576-12-5Downstream Products

576-12-5Relevant academic research and scientific papers

Stereoarrayed CF3-Substituted 1,3-Diols by Dynamic Kinetic Resolution: Ruthenium(II)-Catalyzed Asymmetric Transfer Hydrogenation

Cotman, Andrej Emanuel,Cahard, Dominique,Mohar, Barbara

supporting information, p. 5294 - 5298 (2016/04/26)

CF3-substituted 1,3-diols were stereoselectively prepared in excellent enantiopurity and high yield from CF3-substituted diketones by using an ansa-ruthenium(II)-catalyzed asymmetric transfer hydrogenation in formic acid/triethylamine. The intermediate mono-reduced alcohol was also obtained in very high enantiopurity by applying milder reaction conditions. In particular, CF3C(O)-substituted benzofused cyclic ketones underwent either a single or a double dynamic kinetic resolution during their reduction. Doubling up: A double dynamic kinetic resolution is described for the ansa-ruthenium(II)-catalyzed asymmetric transfer hydrogenation of diketones in formic acid/triethylamine to yield the title compounds, displaying a stereotriad, in excellent stereopurity. The intermediate mono-reduced alcohols were isolated in very high enantiopurity by using milder reaction conditions.

Cyclizations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes - A new approach to diverse CF3-substituted fluorenes, dibenzofurans, 9,10-dihydrophenanthrenes and 6H-benzo[c]chromenes

Büttner, Stefan,Kelzhanova, Nazken K.,Abilov, Zharylkasyn A.,Villinger, Alexander,Langer, Peter

experimental part, p. 3654 - 3668 (2012/06/18)

Trifluoromethyl-substituted fluorenes, dibenzofurans, 9,10- dihydrophenanthrenes and 6H-benzo[c]chromenes were prepared by formal [3+3] cyclizations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes. The reactions proceeded with very good regioselectivity. The

Exploiting the facile release of trifluoroacetate for the α-methylenation of the sterically hindered carbonyl groups on (+)-sclareolide and (-)-eburnamonine

Riofski, Mark V.,John, Jinu P.,Zheng, Mary M.,Kirshner, Julia,Colby, David A.

experimental part, p. 3676 - 3683 (2011/06/24)

An efficient method for the α-methylenation of carbonyl groups is reported, and this transformation is accomplished by a facile elimination of trifluoroacetate during the formation of the olefin. This method represents an improvement beyond existing protocol in cases of steric hindrance, and we have demonstrated the utility of the process across a series of ketones, lactams, and lactones. Additionally, we have applied this method to produce semisynthetic derivatives of the natural products (+)-sclareolide and (-)-eburnamonine, in which the carbonyl group is proximal to bulky functional groups. Mechanistic insight is also provided from a time course of 19F NMR. Biological evaluation of the natural-product-derived enones led to the identification of a derivative of (-)-eburnamonine with significant cytotoxicity (LC50 = 14.12 ?M) in drug-resistant MDA-MB-231 breast cancer cells.

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