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N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea is a complex organic compound characterized by a unique structure that includes a thiourea group, a phenyl group substituted with two trifluoromethyl groups, and an indene group featuring a hydroxyl group in a specific stereochemistry. This distinctive molecular architecture suggests potential reactivity and applications in various fields, such as pharmaceuticals, materials science, and organic synthesis.

871828-95-4

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871828-95-4 Usage

Uses

Used in Pharmaceutical Industry:
N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea is used as a potential pharmaceutical agent for its unique molecular structure, which may offer novel therapeutic properties and interactions with biological targets. The trifluoromethyl groups and the hydroxyl group on the indene moiety could contribute to its binding affinity and selectivity for specific receptors or enzymes, making it a candidate for drug development.
Used in Materials Science:
In the field of materials science, N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea could be utilized as a component in the development of new materials with tailored properties. Its structural features may allow it to participate in the formation of polymers, coatings, or other materials with specific characteristics, such as thermal stability, chemical resistance, or optical properties.
Used in Organic Synthesis:
N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea may serve as a versatile intermediate or building block in organic synthesis. Its reactivity, stemming from the thiourea and phenyl groups, could be harnessed in the synthesis of more complex organic molecules, including natural product analogs, pharmaceuticals, or specialty chemicals.
Further research and testing are required to fully explore the properties and potential applications of N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2S)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-Thiourea, as its unique structure and reactivity could unlock new opportunities in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 871828-95-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,1,8,2 and 8 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 871828-95:
(8*8)+(7*7)+(6*1)+(5*8)+(4*2)+(3*8)+(2*9)+(1*5)=214
214 % 10 = 4
So 871828-95-4 is a valid CAS Registry Number.

871828-95-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea

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 -
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More Details:871828-95-4 SDS

871828-95-4Downstream Products

871828-95-4Relevant academic research and scientific papers

Modular Design of Chiral Conjugate-Base-Stabilized Carboxylic Acids: Catalytic Enantioselective [4 + 2] Cycloadditions of Acetals

Abboud, Khalil A.,Kirm, Helmi-Ulrika,Leito, Ivo,Odagi, Minami,Saame, Jaan,Seidel, Daniel,Supantanapong, Nantamon,Xu, Weici,Zhu, Zhengbo

supporting information, p. 15252 - 15258 (2020/10/18)

Readily available 1,2-amino alcohols provide the framework for a new generation of chiral carboxylic acid catalysts that rival the acidity of the widely used chiral phosphoric acid catalyst (S)-TRIP. Covalently linked thiourea sites stabilize the carboxyl

Thiocarbonyl Surrogate via Combination of Sulfur and Chloroform for Thiocarbamide and Oxazolidinethione Construction

Tan, Wei,Wei, Jianpeng,Jiang, Xuefeng

supporting information, p. 2166 - 2169 (2017/04/27)

An efficient and practical thiocarbonyl surrogate via combination of sulfur and chloroform has been developed. A variety of thiocarbamides and oxazolidinethiones have been established, including chiral thiourea catalysts and chiral oxazolidinethione auxiliaries with high selectivity. Meanwhile, pesticides Diafenthiuron (an acaricide), ANTU (a rodenticide), and Chloromethiuron (an insecticide) were practically synthesized through this method in gram scale. Dicholorocarbene, as the key intermediate, was further confirmed via a carbene-trapping control experiment.

Hydrogen Bonding Networks in Chiral Thiourea Organocatalysts: Evidence on the Importance of the Aminoindanol Moiety

Gimeno, M. Concepción,Herrera, Raquel P.

, p. 5091 - 5099 (2016/10/12)

The crystal structures of four chiral thioureas, which are normally used as organocatalysts, are reported by the first time. Each compound is assembled in the crystal in a different way according to their chiral moiety in the thiourea skeleton, being depe

Evaluating Thiourea Architecture for Intramolecular [2+2] Photocycloaddition of 4-Alkenylcoumarins

Vallavoju, Nandini,Selvakumar, Sermadurai,Jockusch, Steffen,Prabhakaran, Manoj Thathamkulam,Sibi, Mukund P.,Sivaguru, Jayaraman

supporting information, p. 2763 - 2768 (2016/02/18)

The efficiency of [2+2] photocycloadditions of 4-alkenylcoumarins was evaluated with various thiourea skeletons to develop thiourea-based catalysts for promoting photochemical reactions. Our results indicate that the excited state chemistry is dependent o

Exploiting molecular self-assembly: From urea-based organocatalysts to multifunctional supramolecular gels

Schoen, Eva-Maria,Marques-Lopez, Eugenia,Herrera, Raquel P.,Aleman, Carlos,Diaz, David Diaz

, p. 10720 - 10731 (2014/11/08)

We describe the self-assembly properties of chiral N,N′-disubstituted urea-based organocatalyst 1 that leads to the formation of hierarchical supramolecular gels in organic solvents at low concentrations. The major driving forces for the gelation are hydr

Enhanced efficiency of thiourea catalysts by external Bronsted acids in the Friedel-Crafts alkylation of indoles

Marques-Lopez, Eugenia,Alcaine, Ana,Tejero, Tomas,Herrera, Raquel P.

supporting information; experimental part, p. 3700 - 3705 (2011/09/14)

A novel study on the influence of external Bronsted acids on thiourea catalysts in the asymmetric Friedel-Crafts alkylation of indoles with nitroalkenes is reported. The final 3-substituted indole derivatives were synthesized with better results because o

Thiourea catalyzed organocatalytic enantioselective Michael addition of diphenyl phosphite to nitroalkenes

Alcaine, Ana,Marques-Lopez, Eugenia,Merino, Pedro,Tejero, Tomas,Herrera, Raquel P.

scheme or table, p. 2777 - 2783 (2011/05/04)

Bifunctional thiourea catalyzes the enantioselective Michael addition reaction of diphenyl phosphite to nitroalkenes. This methodology provides a facile access to enantiomerically enriched β-nitrophosphonates, precursors for the preparation of synthetically and biologically useful β-aminophosphonic acids. DFT level of computational calculations invoke the attack of the diphenyl phosphite to the nitroolefin by the Re face, this give light to this scarcely explored process update in the literature. The computational calculations support the absolute configuration obtained in the final adducts.

Asymmetric diels-alder reactions of vinylindoles using organocatalysis

Gioia, Claudio,Bernardi, Luca,Ricci, Alfredo

experimental part, p. 161 - 170 (2010/04/28)

The different behavior of 3- and 2-vinylindoles in Diels-Alder cycloaddition reactions in the presence of bifunctional hydrogen bond donor organocatalysts is described.

Organocatalysis in conjugate amine additions. Synthesis of β-amino acid derivatives

Sibi, Mukund P.,Itoh, Kennosuke

, p. 8064 - 8065 (2008/02/09)

Conjugate addition of O-protected hydroxylamines to pyrazole-derived enoates proceeds with high efficiency and enantioselectivity when chiral thioureas are used as activators. A wide variety of substrates undergo conjugate amine addition providing access to enantioenriched β-amino acid derivatives. Structural requirements for the optimal thiourea catalyst have been established, and the results suggest that it operates as a bifunctional catalyst. Copyright

Asymmetric Morita-Baylis-Hillman reaction catalyzed by simple amino alcohol derived thioureas

Lattanzi, Alessandra

, p. 2106 - 2110 (2008/02/09)

Thioureas straightforwardly derived from commercially available enantiopure amino alcohols have been found to promote the asymmetric Morita-Baylis-Hillman reaction of 2-cyclohexen-1-one and different aldehydes in the presence of triethylamine under solven

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