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4-(2,2,2-Trifluoroethoxy)aniline is a chemical compound characterized by the molecular formula C8H8F3NO. It is an aniline derivative featuring a trifluoroethoxy group attached to the nitrogen atom, which imparts unique properties to the molecule.

57946-61-9

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57946-61-9 Usage

Uses

Used in Organic Synthesis:
4-(2,2,2-Trifluoroethoxy)aniline is utilized as a key intermediate in organic synthesis for the production of various complex organic compounds. Its unique trifluoroethoxy group allows for versatile chemical reactions, making it a valuable building block in the synthesis of specialty chemicals.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 4-(2,2,2-Trifluoroethoxy)aniline is employed as a starting material or intermediate in the development of new drugs. Its unique structure and reactivity enable the creation of novel drug candidates with potential therapeutic applications.
Used in Agrochemical Production:
4-(2,2,2-Trifluoroethoxy)aniline is also used in the agrochemical sector for the synthesis of various agrochemicals, including pesticides and herbicides. Its properties allow for the development of effective and targeted agrochemicals to protect crops and enhance agricultural productivity.
Used in Dye and Pigment Manufacturing:
In the dye and pigment industry, 4-(2,2,2-Trifluoroethoxy)aniline is used as a precursor for the production of dyes and pigments. Its unique structure contributes to the color and stability of these compounds, making it an important component in the formulation of high-quality dyes and pigments.
Safety Precautions:
Due to its potentially hazardous nature, appropriate safety measures should be taken when handling and storing 4-(2,2,2-Trifluoroethoxy)aniline. This includes the use of personal protective equipment, proper ventilation, and adherence to established safety protocols to minimize risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 57946-61-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,9,4 and 6 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 57946-61:
(7*5)+(6*7)+(5*9)+(4*4)+(3*6)+(2*6)+(1*1)=169
169 % 10 = 9
So 57946-61-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2

57946-61-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(2,2,2-TRIFLUOROETHOXY)ANILINE

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:57946-61-9 SDS

57946-61-9Relevant academic research and scientific papers

Catalytic hydrogenation and reduction of 4-(2,2,2-trifluoroethoxy)nitrobenzene

Chen, Haiying,Lu, Ming,Shen, Jialin

, p. 7289 - 7291 (2014)

4-(2,2,2-Trifluoroethoxy)nitrobenzene was used as raw material to create a reaction for 1 h at 70°C by using ethanol and palladium carbon as solvent and catalyst, respectively, to obtain the desired product 4-(2,2,2-trifluoroethoxy)aniline with 97% yield and 99.9% purity. NMR, IR, MS, GC and other analysis and detection methods were used to conduct qualitative and quantitative analyses of the desired product. This paper discussed the process conditions of hydrogenation and reduction reaction and mainly investigated the impact of dosage and recycling of catalyst.

P-Aminophenyl alkyl ether-based 19F MRI probe for specific detection and imaging of hypochlorite ion

Doura, Tomohiro,An, Qi,Sugihara, Fuminori,Matsuda, Tetsuya,Sando, Shinsuke

, p. 1357 - 1359 (2011)

We report a 19F MRI probe for the specific detection and imaging of -OCl. Our designed probe, having p-aminophenyl alkyl scaffold, reacted expeditiously with -OCl to produce a trifluoroethanol. Concomitant with the reaction, the 19F chemical shift changed by 2.6 ppm, allowing the visualization of -OCldependent probe-to-product conversion using 19F MRI.

6-Amino[1,2,5]oxadiazolo[3,4- b]pyrazin-5-ol Derivatives as Efficacious Mitochondrial Uncouplers in STAM Mouse Model of Nonalcoholic Steatohepatitis

Salamoun, Joseph M.,Garcia, Christopher J.,Hargett, Stefan R.,Murray, Jacob H.,Chen, Sing-Young,Beretta, Martina,Alexopoulos, Stephanie J.,Shah, Divya P.,Olzomer, Ellen M.,Tucker, Simon P.,Hoehn, Kyle L.,Santos, Webster L.

, p. 6203 - 6224 (2020/07/14)

Small molecule mitochondrial uncouplers have recently garnered great interest for their potential in treating nonalcoholic steatohepatitis (NASH). In this study, we report the structure-activity relationship profiling of a 6-amino[1,2,5]oxadiazolo[3,4-b]pyrazin-5-ol core, which utilizes the hydroxy moiety as the proton transporter across the mitochondrial inner membrane. We demonstrate that a wide array of substituents is tolerated with this novel scaffold that increased cellular metabolic rates in vitro using changes in oxygen consumption rate as a readout. In particular, compound SHS4121705 (12i) displayed an EC50 of 4.3 μM in L6 myoblast cells and excellent oral bioavailability and liver exposure in mice. In the STAM mouse model of NASH, administration of 12i at 25 mg kg-1 day-1 lowered liver triglyceride levels and improved liver markers such as alanine aminotransferase, NAFLD activity score, and fibrosis. Importantly, no changes in body temperature or food intake were observed. As potential treatment of NASH, mitochondrial uncouplers show promise for future development.

Properties of liquid crystals and Cu2+ recognition based on Schiff bases

Liu, Zhilian,Yu, Zhenning,Zhang, Jian,Zhang, Shuxiang

, p. 11 - 19 (2016/02/19)

Two series of new Schiff base compounds were synthesized. For Schiff base compounds with a pyridine nitrogen atom in 4-position (7a-e), their supramolecular hydrogen bonding complexes show good liquid crystal properties. However, no liquid crystal property is observed for 8a-e. Results of theoretical calculations demonstrate that it is the intermolecular hydrogen bond of Schiff base compounds (8a-e) that prevents the formation of supramolecular hydrogen bonding. The Schiff base compounds, with terminal alkoxy chains, can recognize Cu2+ selectively with a color change. Nevertheless, others cannot recognize Cu2+.

Fuorinated hydrogen bonding liquid crystals based on Schiff base

Liu, Zhilian,Zhang, Jian,Li, Tengfei,Yu, Zhenning,Zhang, Shuxiang

, p. 36 - 39 (2013/05/08)

Two new Schiff base compounds, tailed by the fluoroalkoxy, were synthesized in a three-step process. Those supramolecular structures constructed by hydrogen bonding show good liquid crystal properties with higher clear points and wider mesomorphic phase ranges than other analogs containing a terminal alkoxy chain. Investigation of the optical textures by polarizing microscopy reveals that terminal fiuorinated substituents convert the nematic phase of supramolecular hydrogen-bonding complexes with terminal alkoxy chains into the smectic A phase of those with terminal fluoroalkoxy chains.

FUSED HETEROCYCLIC COMPOUND AND APPLICATION THEREOF

-

Paragraph 0502; 0503, (2013/06/04)

The present invention provides a compound useful for the prophylaxis or treatment of eicosanoid-associated diseases such as atherosclerosis, atherothrombosis, diabetes, obesity, asthma, fever, pain, cancer, rheumatism, osteoarthritis, atopic dermatitis and the like, and having superior pharmacological action, physicochemical properties and the like. The present invention relates to a compound represented by the following formula: wherein each symbol is as defined in the specification, or a salt thereof.

NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS

-

Page/Page column 21, (2012/12/13)

The invention provides novel compounds having the general formula (I), wherein R1, R2, R3 and A are as described herein, compositions including the compounds and methods of using the compounds. These compounds are useful as inhibitors of hormone sensitive

NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS

-

Page/Page column 53-54, (2012/12/13)

The invention provides novel compounds having the general formula (I) wherein R1, R2, R3 and A are as described herein, compositions including the compounds and methods of using the compounds.

Fused ring compound and use thereof

-

Page/Page column 38, (2010/08/07)

The present invention provides a compound represented by the formula: wherein the symbols are as described in the specification, or a salt thereof, which is useful for preventing/treating eicosanoid-associated diseases such as atherosclerosis, diabetes, obesity, atherothrombosis, asthma, fever, pain, cancer, rheumatism, osteoarthritis and atopic dermatitis, and which has an excellent pharmacological action, physicochemical properties, etc.

AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS

-

Page/Page column 78, (2010/12/17)

Compounds of formula (I) as well as pharmaceutically acceptable salts thereof can be used in the form of pharmaceutical compositions, wherein n, m, A, R1 and R2 have the significance given in claim 1. The compounds are useful as HSL inhibitors for the treatment of diabetes dyslipidemia, atherosclerosis and obesity.

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