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2,2,2-TRIFLUORO-1-(3-NITROPHENYL)-ETHANOL is a synthetic organic compound characterized by its molecular formula C8H6F3NO3. It is distinguished by the presence of fluorine, nitro, and hydroxyl functional groups, which contribute to its unique chemical properties and potential applications in various industries.

453-77-0

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453-77-0 Usage

Uses

Used in Pharmaceutical Industry:
2,2,2-TRIFLUORO-1-(3-NITROPHENYL)-ETHANOL is used as a building block for the synthesis of pharmaceutical compounds due to its versatile functional groups that can be utilized in the development of new drugs.
Used in Agricultural Industry:
In the agricultural sector, 2,2,2-TRIFLUORO-1-(3-NITROPHENYL)-ETHANOL is employed as a precursor in the production of pesticides, leveraging its chemical structure to create effective and targeted agrochemicals.
Used as a Solvent:
2,2,2-TRIFLUORO-1-(3-NITROPHENYL)-ETHANOL is used as a solvent in certain chemical processes, taking advantage of its ability to dissolve a variety of substances and facilitate reactions.
Used as a Reagent:
2,2,2-TRIFLUORO-1-(3-NITROPHENYL)-ETHANOL also serves as a reagent in chemical reactions, where its specific functional groups can participate in or catalyze the desired transformations.
It is crucial to handle 2,2,2-TRIFLUORO-1-(3-NITROPHENYL)-ETHANOL with care due to its potential hazardous properties, ensuring safety in its application across different fields.

Check Digit Verification of cas no

The CAS Registry Mumber 453-77-0 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,5 and 3 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 453-77:
(5*4)+(4*5)+(3*3)+(2*7)+(1*7)=70
70 % 10 = 0
So 453-77-0 is a valid CAS Registry Number.

453-77-0SDS

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 2,2,2-trifluoro-1-(3-nitrophenyl)ethanol

1.2 Other means of identification

Product number -
Other names 1-(3-nitrophenyl)-2,2,2-trifluoroethan-1-ol

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:453-77-0 SDS

453-77-0Relevant academic research and scientific papers

NAD(P)+-NAD(P)H MODEL. 40. EFFECT OF WATER ON THE RATE OF REDUCTION

Ohno, Atsuyoshi,Kobayashi, Hisami,Nakamura, Kaoru,Oka, Shinzaburo

, p. 1263 - 1264 (1983)

Effect of water on catalytic activity of magnesium ion in the reduction with an NAD(P)H-model has been studied.It is concluded that small amount of water does not effect the catalytic activity.

Fluorine-18 labelled Ruppert-Prakash reagent ([18F]Me3SiCF3) for the synthesis of 18F-trifluoromethylated compounds

Pees, Anna,Vosjan, Maria J.W.D,Vasdev, Neil,Windhorst, Albert D.,Vugts, Danielle J.

supporting information, p. 5286 - 5289 (2021/06/06)

This article describes the first synthesis and application of fluorine-18 labelled Ruppert-Prakash reagent [18F]Me3SiCF3. [18F]Me3SiCF3 was synthesized from [18F]fluoroform with radiochemical yields of 85-95% and radiochemical purities of >95% within 20 m

Oxidation of α-trifluoromethyl and non-fluorinated alcohols: Via the merger of oxoammonium cations and photoredox catalysis

Pistritto, Vincent A.,Paolillo, Joshua M.,Bisset, Kathryn A.,Leadbeater, Nicholas E.

supporting information, p. 4715 - 4719 (2018/07/06)

We present an alcohol oxidation strategy to access α-trifluoromethyl ketones (TFMKs) merging catalytic oxoammonium cation oxidation with visible-light photoredox catalysis. This work uses 4-acetamido-(2,2,6,6-tetramethyl-piperidin-1-yl)oxyl as an organic oxidant capable of generating TFMKs in good yields. The methodology serves as an improvement over previous reports of an analogous oxidation strategy requiring superstoichiometric quantities of oxidant. Both primary and secondary non-fluorinated alcohols can also be oxidised in good yields.

Photoinduced additive-free trifluoromethylation of aromatic aldehydes with TMSCF3

Sun, Jing,Peng, Xinhua,Guo, Hao

supporting information, p. 797 - 800 (2015/01/30)

We report herein a new and effective method for additive-free trifluoromethylation of aromatic aldehydes with TMSCF3. Normal acidic hydrolysis for desilylation in the workup process is not required in this transformation. This reaction presents

Efficient synthesis of [18F]trifluoromethane and its application in the synthesis of PET tracers

Van Der Born, Dion,Herscheid,Orru, Romano V.A.,Vugts, Danielle J.

supporting information, p. 4018 - 4020 (2013/07/26)

A new strategy towards [18F]trifluoromethyl-containing compounds is developed. [18F]trifluoromethane is synthesised in a fast and efficient manner and subsequently used in the reaction with aldehydes and ketones forming [18/sup

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.

Oxidation of α-trifluoromethyl alcohols using a recyclable oxoammonium salt

Kelly, Christopher B.,Mercadante, Michael A.,Hamlin, Trevor A.,Fletcher, Madison H.,Leadbeater, Nicholas E.

, p. 8131 - 8141 (2013/01/15)

A simple, mild method for the oxidation of α-trifluoromethyl alcohols to trifluoromethyl ketones (TFMKs) using the oxoammonium salt 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate (1) is described. Under basic conditions, oxidation proceeds rapidly and affords good to excellent yields of TFMKs, without concomitant formation of the hydrate. The byproduct of the oxidation, 4-acetylamino-2,2,6,6-tetramethyl-1- piperidinyloxy (1c), is easily recovered and can be conveniently reoxidized to regenerate the oxoammonium salt.

Fluoroanalogs of DDT: Superacidic BF3-H2O catalyzed facile synthesis of 1,1,1-trifluoro-2,2-diarylethanes and 1,1-difluoro-2,2- diarylethanes

Prakash, G. K. Surya,Paknia, Farzaneh,Mathew, Thomas,Mloston, Gzregorz,Joschek, Jens P.,Olah, George A.

supporting information; experimental part, p. 4128 - 4131 (2011/10/04)

The one-pot synthesis of 1,1,1-trifluoro- and 1,1-difluoro-2,2- diarylethanes from arenes and fluorinated hemiacetals in the BF 3-H2O system is described. The reaction is simple, clean, and convenient, eliminating the use of organic

Nonenzymatic kinetic resolution of racemic 2,2,2-trifluoro-1-aryl ethanol via enantioselective acylation

Xu, Qing,Zhou, Hui,Geng, Xiaohong,Chen, Peiran

supporting information; experimental part, p. 2232 - 2238 (2009/07/11)

Kinetic resolution of a series of 2,2,2-trifluoro-1-aryl ethanol with (R)-benzotetramisole as the catalyst has been investigated. The result showed that when the aryl group in the substrate was a phenyl (or a phenyl substituted by an electron-donating group) or a naphthyl (an extended phenyl) group, the system could give an s value higher than 20. Preparative KR examples demonstrated the applicability of this method in the preparation of some of enantiomerically pure 2,2,2-trifluoro-1-aryl ethanol or 2,2,2-trifluoro-1-aryl-ethyl iso-butyrate.

Trifluoromethylation of carbonyl compounds with trifluoromethyltrimethylsilane (Ruppert reagent) promoted by triphenyldifluorostannates

Borkin,Loska,Makosza

, p. 1187 - 1191 (2007/10/03)

Nucleophilic trifluoromethylation of aromatic aldehydes and ketones with trifluoromethyltrimethylsilane is initiated with KF/n-Bu3MeN +HSO4-/Ph3SnF cocatalytic system in CH2Cl2 or with K[Ph3SnF2] in DMF.

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