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1-(3'-Trifluoromethyl[1,1'-biphenyl]-4-yl)-ethanone, with the molecular formula C15H11F3O, is a ketone derivative belonging to the class of organofluorine compounds. This chemical is characterized by its unique structure and reactivity, featuring a trifluoromethyl group and a biphenyl ring, making it a valuable building block for the synthesis of complex organic molecules. The presence of the ketone functional group also renders it a versatile intermediate in the production of various pharmaceuticals and agrochemicals.

709667-96-9

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709667-96-9 Usage

Uses

Used in Organic Synthesis:
1-(3'-Trifluoromethyl[1,1'-biphenyl]-4-yl)-ethanone is used as a key intermediate for the synthesis of complex organic molecules, taking advantage of its unique structure and reactivity.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 1-(3'-Trifluoromethyl[1,1'-biphenyl]-4-yl)-ethanone is used as a building block for the development of new drugs, due to its potential in creating novel molecular structures with potential therapeutic properties.
Used in Agrochemicals Production:
This chemical compound is also utilized as an intermediate in the production of various agrochemicals, contributing to the development of new pesticides and other agricultural products.
Overall, 1-(3'-Trifluoromethyl[1,1'-biphenyl]-4-yl)-ethanone is an important chemical with a wide range of applications in the fields of organic chemistry, pharmaceutical research, and agrochemical development.

Check Digit Verification of cas no

The CAS Registry Mumber 709667-96-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,0,9,6,6 and 7 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 709667-96:
(8*7)+(7*0)+(6*9)+(5*6)+(4*6)+(3*7)+(2*9)+(1*6)=209
209 % 10 = 9
So 709667-96-9 is a valid CAS Registry Number.

709667-96-9SDS

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 1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone

1.2 Other means of identification

Product number -
Other names 1-(3'-Trifluoromethyl-biphenyl-4-yl)-ethanone

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:709667-96-9 SDS

709667-96-9Downstream Products

709667-96-9Relevant academic research and scientific papers

DOCK1-INHIBITING COMPOUND AND USE THEREOF

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Paragraph 0185; 0186, (2021/10/07)

Provided is a compound that is usable as an active ingredient of an anticancer agent. Preferably provided is a compound that has DOCK1-inhibiting activity and exerts an anticancer effect based on the activity. A compound represented by the following formula (A) or a salt thereof: wherein X represents a carbon atom or a nitrogen atom; Y represents an oxygen atom, a hydroxy group, or a hydrocarbon group; R1 and R2 are different, and each represents a hydrogen atom or a group represented by the following formula (A-1): (wherein R6 represents a pyrrolidino group or a phenyl group, and n2 is 0 or 1) ; R3 represents -CO-R7 (wherein R7 is an alkoxy group, an alkyl group, or an alkylamino group), a 1,3-oxazole group, an alkylhydroxy group, a hydrogen atom, or an oxygen atom; R4 represents a hydrogen atom, an oxygen atom, or a hydrocarbon group in which one or more hydrogen atoms may be replaced by one or more substituents; R5 represents a halogen atom, a halogenated alkyl group, or a halogenated alkylthio group; and n1 is an integer of 0 to 5; and

Method for preparing biaryl hydrocarbon compound by Suzuki coupling reaction

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Paragraph 0096-0100, (2020/12/30)

The invention discloses a preparation method of a biaryl hydrocarbon compound as shown in a structural formula III (the structural formula and substituent are shown in the specification), which comprises the following steps: adding a nonionic surfactant into a reaction system, and carrying out Suzuki coupling reaction on chlorinated aromatic hydrocarbon as shown in a structural formula I and arylboronic acid as shown in a structural formula II. The preparation method provided by the invention is high in chlorinated aromatic hydrocarbon reaction activity, low in raw material cost, mild in reaction condition, green and environment-friendly.

Diamines as interparticle linkers for silica-titania supported PdCu bimetallic nanoparticles in Chan-Lam and Suzuki cross-coupling reactions

Jamwal, Babita,Kaur, Manpreet,Sharma, Harsha,Khajuria, Chhavi,Paul, Satya,Clark

, p. 4919 - 4928 (2019/03/26)

A series of highly efficient amine functionalized SiO2-TiO2 supported bimetallic PdCu catalysts with varied metal composition have been synthesized. Ethane-1,2-diamine, butane-1,4-diamine and hexane-1,6-diamine were employed as interparticle linkers for amine functionalization of a SiO2-TiO2 support material so as to study the effect of pendant chain length on stabilization and immobilization of bimetallic nanoparticles. The shortest carbon chain length on the support provided the best results, which may be due to the trapping of metal nanoparticles more efficiently by the basic nitrogen sites. The catalytic activities of these materials were evaluated for C-N and C-C coupling reactions. The most active catalyst, Pd1Cu1@12DA-STS, was characterized by various techniques including SEM, HR-TEM, ICP-AES, XRD, FTIR, EDX, CHN analysis and TGA studies. Moreover, the synthesized catalyst was found to be recyclable for up to five runs without significant loss of activity.

PRODUCTION METHOD OF COUPLING REACTION PRODUCT OF ORGANIC COMPOUND HAVING LEAVING GROUP WITH ORGANOBORON COMPOUND

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Paragraph 0025-0027, (2018/05/24)

PROBLEM TO BE SOLVED: To provide a production method with which a coupling product of the Suzuki-Miyaura cross-coupling reaction can be obtained without using any special ligand, with a practically available yield, and with an amount of catalyst of order of mol ppm. SOLUTION: In a production method, a coupling product is produced by making an organic compound having a leaving group selected from bromine atom, iodine atom, methanesulfonyloxy group, and trifluoromethanesulfonyloxy group react with an organoboron compound in the presence of a catalyst, a base and a solvent, in which the catalyst is a palladium salt with an amount of 10 mol ppm or less, the base is a carbonate, and the solvent is a mixed solvent including ethanol or isopropanol and water, and the reaction is carried out in an oxygen-containing gaseous atmosphere. SELECTED DRAWING: None COPYRIGHT: (C)2018,JPOandINPIT

Efficient PdCl2-catalyzed Suzuki reactions using simple dicationic imidazolium salts as ligands in aqueous DMF

Huang, Qing,Qiu, Jiabin,Li, Limei,Xu, Guohai,Zhou, Zhonggao

, p. 661 - 665 (2014/08/18)

Three new palladium catalysts, prepared via reactions of PdCl2 with readily obtained and inexpensive dicationic imidazolium salts, have been developed for the Suzuki reaction. The pre-catalyst was formed in situ using the imidazolium ligand, ba

Nickel-catalyzed Suzuki-Miyaura coupling of heteroaryl ethers with arylboronic acids

Li, Xiao-Jian,Zhang, Jin-Ling,Geng, Yu,Jin, Zhong

, p. 5078 - 5084 (2013/06/27)

Nickel-catalyzed Suzuki-Miyaura coupling of heteroaryl ethers with arylboronic acids was described. Selective activation of the phenol C-O bonds was achieved by converting them into the corresponding aryl 2,4-dimethoxy-1,3,5- triazine-6-yl ethers, in which aryl C-O bond could be selectively cleaved with inexpensive, air-stable NiCl2(dppf) as a catalyst. Coupling of these readily accessible heteroaryl ethers proved tolerant of extensive functional groups.

Direct Pd-catalyzed cross-coupling of functionalized organoaluminum reagents

Groll, Klaus,Bluemke, Tobias D.,Unsinn, Andreas,Haas, Diana,Knochel, Paul

supporting information, p. 11157 - 11161,5 (2012/12/12)

A handsome couple: Through the use of the simple Pd catalyst [Pd(tmpp) 2Cl2] (tmpp=tris(2,4,6-trimethoxyphenyl)phosphine) and THF/DMF as solvent, various aryl-, heteroaryl-, benzyl- and alkylaluminum reagents can be readily cross-coupled with aryl or heteroaryl iodides, bromides, and nonaflates, and in special cases even with chlorides and triflates. This cross-coupling tolerates free NH2 groups, aldehydes, ketones, esters, and nitro functions. Copyright

General and highly efficient fluorinated-N-heterocyclic carbene-based catalysts for the palladium-catalyzed Suzuki-Miyaura reaction

Liu, Taoping,Zhao, Xiaoming,Shen, Qilong,Lu, Long

supporting information; experimental part, p. 6535 - 6547 (2012/08/28)

A general and highly efficient trifluoromethylated-N-heterocyclic carbene (NHC)-based catalyst for the palladium-catalyzed Suzuki-Miyaura reaction was reported. In the presence of the catalyst, reactions of non-activated aryl chlorides and triflates with aryl boronic acids occurred at room temperature with good to excellent yields (63-98%). In addition, catalysts generated from a combination of Pd(OAc)2/imidazolium salt 6a is not only effective for the coupling of heteroaryl boronic acid with aryl halides and heteroaryl halides, but also efficient for coupling of other heteroaryl halides and heteroaryl boronic acids. Finally, the catalyst is highly effective for Suzuki-Miyaura reaction of aryl bromides and chlorides with 0.01-0.1 mol % loading if the temperature was raised at refluxed THF/H2O.

Preparation of functionalized organoaluminiums by direct insertion of aluminium to unsaturated halides

Blumke, Tobias,Chen, Yi-Hung,Peng, Zhihua,Knochel, Paul

supporting information; experimental part, p. 313 - 318 (2010/09/05)

The preparation of polyfunctional organometallics is important in organic synthesis as these reagents are very popular nucleophiles. The preparation of functionalized aluminium reagents by direct insertion of aluminium powder is in general not possible. Such a reaction would be of special importance owing to the low price of aluminium compared with magnesium (it is half the price), the low toxicity of this metal and the chemoselectivity of the resultant organoaluminium reagents. We have now found that by adding catalytic amounts of selected metallic chlorides (TiCl4, BiCl3, InCl 3 or PbCl2) in the presence of LiCl, aluminium powder inserts into various unsaturated iodides and bromides under mild conditions. These resulting new organoaluminium reagents undergo smooth Pd-catalysed cross-coupling and acylation reactions, as well as copper-catalysed allylic substitutions, affording various interesting products for pharmaceutical and material science applications.

Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines

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Page/Page column 7, (2010/08/07)

Organozinc compounds of the type R1—Ar1—ZnY (1) can be reacted with different functionalized aryl halides R2—Ar2—X (2) in the presence of catalytic amounts of Ni or Fe in a polar solvent or solvent mixture to form polyfunctional biaryles of the type R1—Ar1—Ar2—R2 (3). Organozinc compounds of the type (1) can be represented by the transmetallation reaction of functionalized aryl magnesium halides or lithium aryl compounds with e.g. ZnBr2.

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