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Ethanone, 1-(2-amino-5-methylphenyl)-2,2,2-trifluoro(9CI) is an organic compound characterized by the molecular formula C10H10F3NO. It features a trifluoromethyl ketone structure with a substituted amino group and a methylphenyl group. This versatile intermediate is widely used in the pharmaceutical and agrochemical industries for the synthesis of new drugs and crop protection agents, leveraging the unique properties of the trifluoromethyl group to enhance the activity and pharmacokinetics of potential drug candidates.

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  • 205756-35-0 Structure
  • Basic information

    1. Product Name: Ethanone, 1-(2-amino-5-methylphenyl)-2,2,2-trifluoro- (9CI)
    2. Synonyms: Ethanone, 1-(2-amino-5-methylphenyl)-2,2,2-trifluoro- (9CI);1 - (2 - AMino - 5 - Methylphenyl) - 2,2,2 - trifluoroethanone;1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethan-1-one, 4-Methyl-2-(trifluoroacetyl)aniline;2'-Amino-5'-methyl-2,2,2-trifluoroacetophenone
    3. CAS NO:205756-35-0
    4. Molecular Formula: C9H8F3NO
    5. Molecular Weight: 203.1611296
    6. EINECS: N/A
    7. Product Categories: ACETYLHALIDE
    8. Mol File: 205756-35-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Ethanone, 1-(2-amino-5-methylphenyl)-2,2,2-trifluoro- (9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: Ethanone, 1-(2-amino-5-methylphenyl)-2,2,2-trifluoro- (9CI)(205756-35-0)
    11. EPA Substance Registry System: Ethanone, 1-(2-amino-5-methylphenyl)-2,2,2-trifluoro- (9CI)(205756-35-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 205756-35-0(Hazardous Substances Data)

205756-35-0 Usage

Uses

Used in Pharmaceutical Industry:
Ethanone, 1-(2-amino-5-methylphenyl)-2,2,2-trifluoro(9CI) serves as a key intermediate in the development of new drugs. Its trifluoromethyl group imparts unique properties that can improve the activity, selectivity, and pharmacokinetics of drug candidates, making it a valuable component in medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, Ethanone, 1-(2-amino-5-methylphenyl)-2,2,2-trifluoro(9CI) is utilized as a building block for the synthesis of crop protection agents. Its chemical structure allows for the creation of novel compounds with enhanced pesticidal properties, contributing to more effective and targeted crop protection solutions.
Used in Organic Synthesis:
Ethanone, 1-(2-amino-5-methylphenyl)-2,2,2-trifluoro(9CI) is a versatile intermediate in organic synthesis, enabling the creation of a wide range of chemical compounds. Its unique structure and functional groups facilitate various chemical reactions, making it a valuable component in the synthesis of complex organic molecules for diverse applications.

Check Digit Verification of cas no

The CAS Registry Mumber 205756-35-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,5,7,5 and 6 respectively; the second part has 2 digits, 3 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 205756-35:
(8*2)+(7*0)+(6*5)+(5*7)+(4*5)+(3*6)+(2*3)+(1*5)=130
130 % 10 = 0
So 205756-35-0 is a valid CAS Registry Number.

205756-35-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethanone

1.2 Other means of identification

Product number -
Other names 4-methyl-2-trifluoroacetylaniline

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:205756-35-0 SDS

205756-35-0Relevant articles and documents

Benzylidene succinimides as 3C synthons for the asymmetric tandem Mannich reaction/transamidation of cyclic trifluoromethyl ketimines to obtain F3C-containing polycyclic dihydroquinazolinones

Zhang, Xia-Yan,Dou, Pei-Hao,Lu, Wen-Ya,You, Yong,Zhao, Jian-Qiang,Wang, Zhen-Hua,Yuan, Wei-Cheng

supporting information, p. 2927 - 2930 (2021/03/23)

By taking advantage of benzylidene succinimides as a new class of 3C synthons, a highly diastereo- and enantioselective tandem Mannich reaction/transamidation has been established by reacting them with cyclic trifluoromethylN-acyl ketimines. Using aCinchonaalkaloid-derived squaramide as the catalyst, the tandem reaction proceeded smoothly under mild conditions and afforded a range of F3C-containing chiral polycyclic dihydroquinazolinones with excellent results (up to 99% yield, all cases >20?:?1 dr, up to 99% ee).

Construction of CF3-containing tetrahydropyrano[3,2- b]indoles through DMAP-catalyzed [4+1]/[3+3] domino sequential annulation

Zhu, Yannan,Huang, You

supporting information, p. 6750 - 6755 (2020/09/15)

A [4+1]/[3+3] domino sequential annulation reaction of o-aminotrifluoroacetophenone derivatives and β′-acetoxy allenoates enabled by DMAP has been reported. A variety of CF3-containing tetrahydropyrano[3,2-b]indoles were obtained as a single diastereomer in high yields (≤98%) under mild conditions. The reaction can build one C-N bond, one C-C bond, and one C-O bond sequentially in a single step. The synthetic utility was demonstrated with gram-scale reactions and various transformations of the products.

Phosphine-Catalyzed Intermolecular Annulations of Fluorinated ortho-Aminophenones with Alkynones – The Switchable [4+2] or [4+2]/[3+2] Cycloaddition

Zhang, Yanshun,Sun, Yaoliang,Wei, Yin,Shi, Min

supporting information, p. 2129 - 2135 (2019/03/13)

A phosphine-catalyzed intermolecular annulation reaction of functionalized ortho-aminoacetophenones with alkynones has been disclosed in this paper. A variety of 2-alkynylquinolines and benzo-fused indolizine were selectively afforded in moderate to good yields at different reaction temperatures and with different phosphine catalysts via the in situ generated zwitterionic intermediate derived from alkynone and phosphine. (Figure presented.).

NHC-Cu(I)-Catalyzed Friedl?nder-Type Annulation of Fluorinated o-Aminophenones with Alkynes on Water: Competitive Base-Catalyzed Dibenzo[b,f][1,5]diazocine Formation

Czerwiński, Pawe?,Michalak, Micha?

, p. 7980 - 7997 (2017/08/14)

An efficient, easily scalable synthesis of 4-trifluoromethylquinolines and naphthydrines (as well as their difluoro- and perfluoro-analogues) as a result of tandem direct catalytic alkynylation/dehydrative condensation of o-aminofluoromethylketones (o-FMKs), for the first time catalyzed by NHC-copper(I) complexes on water, is reported. A wide range of terminal alkynes is tolerated under the reaction conditions, including β-lactam-, steroid-, and sugar-derived ones, leading to desired quinolines and naphthydrines with good yields. Further investigations proved that o-FMKs could be efficiently transformed into a rare class of heterocyclic compounds - dibenzo[b,f][1,5]diazocines - by a base-catalyzed condensation, also on water. The developed method was applied for gram-scale synthesis of a fluorinated analogue of G protein-coupled receptor antagonist (GPR91).

Synthesis and evaluation of analogs of Efavirenz (SUSTIVA(TM)) as HIV-1 reverse transcriptase inhibitors

Patel, Mona,Ko, Soo S.,McHugh Jr., Robert J.,Markwalder, Jay A.,Srivastava, Anurag S.,Cordova, Beverly C.,Klabe, Ronald M.,Erickson-Viitanen, Susan,Trainor, George L.,Seitz, Steven P.

, p. 2805 - 2810 (2007/10/03)

Efavirenz (SUSTIVA(TM)) is a potent non-nucleoside reverse transcriptase inhibitor. Due to the observation of breakthrough mutations of the reverse transcriptase enzyme during Efavirenz therapy, we sought to develop an optimized second generation series. To that end, SAR of the substituents on the aromatic ring was undertaken and the results are summarized here. The 5,6-difluoro (4f) and the 6-methoxy (4m) substituted benzoxazinones were determined to be equipotent, and as a result such substitution patterns will be incorporated in second generation scaffolds.

4,4-disubstitued-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same

-

, (2008/06/13)

The present invention relates to benzoxazinones of formula I: STR1 or stereoisomeric forms or mixtures, or pharmaceutically acceptable salt forms thereof, which are useful as inhibitors of HIV reverse transcriptase, and to pharmaceutical compositions and diagnostic kits comprising the same, methods of using the same for treating viral infection or as an assay standard or reagent, and intermediates and processes for making the same.

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