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1-(2-bromophenyl)-2,2,2-trifluoroethanol is a chemical compound characterized by the molecular formula C8H6BrF3O. It is a colorless liquid that features a fluorinated alcohol structure with a bromine substituent on a phenyl ring. This unique composition endows it with distinctive chemical properties, making it a versatile building block in organic synthesis and pharmaceutical research.

394203-55-5

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394203-55-5 Usage

Uses

Used in Organic Synthesis:
1-(2-bromophenyl)-2,2,2-trifluoroethanol is utilized as a building block for the synthesis of various organic compounds. Its fluorinated alcohol structure and bromine substituent facilitate its participation in a range of chemical reactions, contributing to the creation of specialty chemicals and complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 1-(2-bromophenyl)-2,2,2-trifluoroethanol is employed as a key intermediate in the development of new drugs. Its unique chemical properties allow it to be incorporated into the molecular structures of potential therapeutic agents, enhancing their pharmacological profiles and efficacy.
Used in Agrochemical Production:
1-(2-bromophenyl)-2,2,2-trifluoroethanol also finds application in the agrochemical sector, where it serves as a precursor in the synthesis of pesticides and other crop protection agents. Its chemical versatility aids in the development of novel agrochemicals with improved performance and selectivity.
Used as a Reagent in Chemical Synthesis:
Due to its distinctive properties, 1-(2-bromophenyl)-2,2,2-trifluoroethanol is used as a reagent in the synthesis of other organic compounds. It plays a crucial role in facilitating specific chemical transformations, enabling the production of a variety of chemical entities for diverse applications.

Check Digit Verification of cas no

The CAS Registry Mumber 394203-55-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,9,4,2,0 and 3 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 394203-55:
(8*3)+(7*9)+(6*4)+(5*2)+(4*0)+(3*3)+(2*5)+(1*5)=145
145 % 10 = 5
So 394203-55-5 is a valid CAS Registry Number.

394203-55-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(2-Bromophenyl)-2,2,2-trifluoroethanol

1.2 Other means of identification

Product number -
Other names 1-(2-bromo-phenyl)-2,2,2-trifluoro-ethanol

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:394203-55-5 SDS

394203-55-5Relevant academic research and scientific papers

Visible light-promoted umpolung coupling of aryl tri-/difluoroethanones with 2-alkenylpyridines

Xu, Xiao,Min, Qing-Qiang,Li, Na,Liu, Feng

supporting information, p. 11017 - 11020 (2018/10/08)

Tertiary alcohols bearing a trifluoromethyl group are of considerable medicinal interest. Using an umpolung strategy, we herein report the first intermolecular reductive cross-coupling of aryl tri-/difluoroethanones with 2-alkenylpyridines with the aid of a Br?nsted acid catalyst upon visible-light irradiation. This metal-free reaction is operationally simple and performed at ambient temperature, allowing access to desired tertiary alcohols with tri-/difluoromethyl groups in moderate to excellent yields. The commercially available and easily handled Hantzsch ester effectively serves as an electron donor, as well as a hydrogen atom source.

INHIBITORS OF MENAQUINONE BIOSYNTHESIS

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Paragraph 00458, (2017/08/01)

Provided herein are compounds of Formula (I) and pharmaceuticals acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, and prodrugs thereof. Also provided are pharmaceutical compositions, kits, and methods involving the inventive compounds for the treatment of an infectious disease (e.g., bacterial infection (e.g., tuberculosis, methicillin- resistant Staphylococcus aureus).

Palladium-Catalyzed Trimethylenemethane Cycloaddition of Olefins Activated by the δ-Electron-Withdrawing Trifluoromethyl Group

Trost, Barry M.,Debien, Laurent

, p. 11606 - 11609 (2015/09/28)

α-Trifluoromethyl-styrenes, trifluoromethyl-enynes, and dienes undergo palladium-catalyzed trimethylenemethane cycloadditions under mild reaction conditions. The trifluoromethyl group serves as a unique δ-electron-withdrawing group for the activation of the olefin toward the cycloaddition. This method allows for the formation of exomethylene cyclopentanes bearing a quaternary center substituted by the trifluoromethyl group, compounds of interest for the pharmaceutical, agrochemical, and materials industries. In the diene series, the cycloaddition operates in a [3 + 4] and/or [3 + 2] manner to give rise to seven- and/or five-membered rings. This transformation greatly improves the scope of the TMM cycloaddition technology and provides invaluable insights into the reaction mechanism.

Highly efficient synthesis of aryl and heteroaryl trifluoromethyl ketones via o-iodobenzoic acid (IBX)

Cheng, Huicheng,Pei, Yu,Leng, Faqiang,Li, Jingya,Liang, Apeng,Zou, Dapeng,Wu, Yangjie,Wu, Yusheng

, p. 4483 - 4486 (2013/07/26)

A two-step process for the synthesis of aryl and heteroaryl trifluoromethyl ketones from the corresponding aldehydes is described. Trifluoromethyl alcohols were prepared from aryl and heteroaryl aldehydes in excellent yields using catalytic amount of K2CO3. The trifluoromethyl alcohols were then oxidized conveniently and efficiently by o-iodoxybenzoic acid (IBX) under mild conditions to get the desired functionalized aryl and heteroaryl trifluoromethyl ketones.

Structure-Activity Relationships of Organofluorine Inhibitors of β-Amyloid Self-Assembly

Toeroek, Bela,Sood, Abha,Bag, Seema,Kulkarni, Aditya,Borkin, Dmitry,Lawler, Elizabeth,Dasgupta, Sujaya,Landge, Shainaz,Abid, Mohammed,Zhou, Weihong,Foster, Michelle,Levine, Harry,Toeroek, Marianna

experimental part, p. 910 - 919 (2012/08/28)

A broad group of structurally diverse small organofluorine compounds were synthesized and evaluated as inhibitors of β-amyloid (Aβ) self-assembly. The main goal was to generate a diverse library of compounds with the same functional group and to observe general structural features that characterize inhibitors of Aβ oligomer and fibril formation, ultimately identifying structures for further focused inhibitor design. The common structural motifs in these compounds are CF3-C-OH and CF3-C-NH groups that were proposed to be binding units in our previous studies. A broad range of potential small-molecule inhibitors were synthesized by combining various carbocyclic and heteroaromatic rings with an array of substituents, generating a total of 106 molecules. The compounds were tested by standard methods such as thioflavin-T fluorescence spectroscopy for monitoring fibril formation, biotinyl Aβ1-42 single-site streptavidin-based assays for observing oligomer formation, and atomic force microscopy for morphological studies. These assays revealed a number of structures that show significant inhibition against either Aβ fibril or oligomer formation. A detailed analysis of the structure-activity relationship of anti-fibril and -oligomer properties is provided. These data present further experimental evidence for the distinct nature of fibril versus oligomer formation and indicate that the interaction of the Aβ peptide with chiral small molecules is not stereospecific in nature.

HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS

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Page/Page column 60-61, (2010/04/30)

Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I) as follows: wherein W1, W2, W3, R1/s

Development of fluorination methods using continuous-flow microreactors

Baumann, Marcus,Baxendale, Ian R.,Martin, Laetitia J.,Ley, Steven V.

experimental part, p. 6611 - 6625 (2011/02/25)

The safe and reliable use of various fluorination methods including nucleophilic fluorination (DAST), trifluoromethylation (Ruppert's reagent) and electrophilic fluorination (Selectfluor) in a continuous-flow microreactor is reported. Special a

PYRIDINE DERIVATIVES

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Page/Page column 171, (2009/01/20)

The present invention relates to compounds of the formula (I): (I) and pharmaceutically acceptable salts and solvates thereof, to processes for the preparation of, intermediates used in the preparation of, and compositions containing such compounds and the uses of such compounds for the treatment of pain.

Multicyclic amino acid derivatives and methods of their use

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Page/Page column 37, (2010/11/28)

Compounds of formulae I and II are disclosed, as well as compositions comprising them and methods of their use to treat, prevent and manage serotonin-mediated diseases and disorders:

Nucleophilic trifluoromethylation using trifluoromethyl iodide. A new and simple alternative for the trifluoromethylation of aldehydes and ketones

Ait-Mohand, Samia,Takechi, Naoto,Medebielle, Maurice,Dolbier Jr., William R.

, p. 4271 - 4273 (2007/10/03)

(Matrix Presented) A novel method for nucleophilic trifluoromethylation of aldehydes and ketones, based on photoinduced reduction of trifluoromethyl iodide by tetrakis(dimethylamino)ethylene (TDAE), is presented.

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