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3-Isopropenylbenzotrifluoride, also known as 3-(1-Methylethylidene)benzotrifluoride, is an organic compound with the chemical formula C10H9F3. It is a colorless liquid with a pungent odor and is derived from benzotrifluoride, a fluorinated aromatic compound. This chemical is characterized by the presence of an isopropenyl group (CH3-C(CH3)=CH2) attached to the benzene ring, which imparts unique chemical properties and reactivity. It is primarily used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. Due to its reactive nature, it is essential to handle 3-Isopropenylbenzotrifluoride with caution, following proper safety protocols to minimize potential health and environmental risks.

368-79-6

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368-79-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 368-79-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,6 and 8 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 368-79:
(5*3)+(4*6)+(3*8)+(2*7)+(1*9)=86
86 % 10 = 6
So 368-79-6 is a valid CAS Registry Number.

368-79-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(prop-1-en-2-yl)-3-(trifluoromethyl)benzene

1.2 Other means of identification

Product number -
Other names 3-trifluoromethyl-α-methylstyrene

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:368-79-6 SDS

368-79-6Relevant academic research and scientific papers

THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF

-

Paragraph 0215, (2019/09/06)

The invention provides a compound as described herein or a pharmaceutically acceptable salt thereof, and compositions containing such compounds and methods for using such compounds and compositions.

PYRIDIDNE-SULFONAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS

-

Page/Page column 58-59, (2019/12/15)

The invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein the variables Y1-Y6, X, Z, Z1, Z2, R2-R3, and R6 have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions. The compounds have sodium channel blocking activity that are useful for treating sodium channel-mediated diseases, in particular for treating pain

Evaluation of Potential Safety Hazards Associated with the Suzuki-Miyaura Cross-Coupling of Aryl Bromides with Vinylboron Species

Yang, Qiang,Canturk, Belgin,Gray, Kaitlyn,McCusker, Elizabeth,Sheng, Min,Li, Fangzheng

, p. 351 - 359 (2018/03/22)

The potential safety hazards associated with the Suzuki-Miyaura cross-coupling of aryl bromides with vinylboron species were evaluated. In the Suzuki-Miyaura cross-coupling of 1-bromo-3-(trifluoromethyl)benzene with potassium vinyltrifluoroborate in the presence of potassium carbonate (K2CO3) in 9:1 dimethyl sulfoxide (DMSO)/water at 80 °C, the thermal profile revealed a significant exotherm upon the addition of catalytic 1,1′-bis(diphenylphosphino)ferrocene palladium(II) dichloride [Pd(dppf)Cl2]. Further investigations indicated that the exotherm was consistently higher and the reactions were faster in the studied aqueous systems compared to anhydrous conditions. Although under anhydrous conditions the exotherms were comparable among the studied cases, the rate of the exotherm was highly dependent on the choice of aryl electrophile, solvent, base, catalyst, as well as vinylboron species. In many of the studied cases the maximum temperature of a synthesis reaction (MTSR) was considerably higher than the boiling point of the solvent and/or the onset temperature of the DMSO decomposition, indicating that in the absence of active cooling the system could quickly exceed the boiling point of the solvent or trigger the decomposition of the reaction mixture to result in a runaway reaction.

A Copper Catalyst with a Cinchona-Alkaloid-Based Sulfonamide Ligand for Asymmetric Radical Oxytrifluoromethylation of Alkenyl Oximes

Li, Xi-Tao,Gu, Qiang-Shuai,Dong, Xiao-Yang,Meng, Xiang,Liu, Xin-Yuan

supporting information, p. 7668 - 7672 (2018/05/30)

A copper-catalyzed asymmetric radical oxytrifluoromethylation of alkenyl oxime and Togni's reagent has been successfully developed, thereby providing straightforward access to CF3-containing isoxazolines bearing α-tertiary stereocenters with excellent yield and enantioselectivity. The key to success is the rational design of cinchona-alkaloid-based sulfonamides as neutral/anionic hybrid ligands to effectively control the stereochemistry in copper-catalyzed reactions involving free alkyl radical species. The utility of this method is illustrated by efficient transformation of the products into useful chiral CF3-containing 1,3-aminoalcohols.

Palladium-Catalyzed Direct Intramolecular C-N Bond Formation: Access to Multisubstituted Dihydropyrroles

Jiang, Bing,Meng, Fei-Fan,Liang, Qiu-Ju,Xu, Yun-He,Loh, Teck-Peng

supporting information, p. 914 - 917 (2017/02/26)

A palladium-catalyzed intramolecular amination of alkenes with retention of olefin functionalization was achieved under mild reaction conditions. In the presence of palladium catalyst, the tosyl-protected amine can directly couple with a double bond to provide versatile dihydropyrrole derivatives in moderate to excellent yields.

Water-Enabled Catalytic Asymmetric Michael Reactions of Unreactive Nitroalkenes: One-Pot Synthesis of Chiral GABA-Analogs with All-Carbon Quaternary Stereogenic Centers

Sim, Jae Hun,Song, Choong Eui

supporting information, p. 1835 - 1839 (2017/02/05)

Water enables new catalytic reactions for otherwise unreactive substrate systems. Under the “on water” reaction conditions, extremely unreactive β,β-disubstituted nitroalkenes smoothly underwent enantioselective Michael addition reactions with dithiomalonates using a chiral squaramide catalyst, affording both enantiomers of highly enantioenriched Michael adducts with all-carbon-substituted quaternary centers. The developed “on water” protocol was successfully applied for the scalable one-pot syntheses of chiral GABA analogs with all-carbon quaternary stereogenic centers at the β-position, which might show highly interesting pharmaceutical properties.

Rapid access to cyclopentadiene derivatives through gold-catalyzed cycloisomerization of ynamides with cyclopropenes by preferential activation of alkenes over alkynes

Cheng, Xing,Zhu, Lei,Lin, Meijun,Chen, Jianxin,Huang, Xueliang

supporting information, p. 3745 - 3748 (2017/04/03)

In this communication, gold-catalyzed intermolecular cycloisomerization of cyclopropenes and ynamides is investigated. The current transformation displayed an activation priority of double bonds over triple bonds by the cationic gold catalyst, giving the corresponding cyclopentadienes in good to excellent yields. Additionally, this protocol can be expanded to a one-pot two-step procedure for the synthesis of substituted cyclopentanones.

Highly enantioselective hydrogenation of β,β-disubstituted nitroalkenes

Li, Shengkun,Huang, Kexuan,Cao, Bonan,Zhang, Jiwen,Wu, Wenjun,Zhang, Xumu

supporting information; experimental part, p. 8573 - 8576 (2012/09/10)

Building the building blocks: A highly enantioselective hydrogenation of ?-aryl-?-alkyl disubstituted nitroalkenes 1 has been developed. This method results in enantiomerically pure nitroalkanes 2, which are versatile precursors for chemical synthesis.

Enantioselective desymmetrization of cyclopropenes by hydroacylation

Phan, Diem H. T.,Kou, Kevin G. M.,Dong, Vy M.

supporting information; experimental part, p. 16354 - 16355 (2011/02/24)

We report an enantioselective desymmetrization of cyclopropenes by intermolecular Rh-catalyzed hydroacylation. Cyclopropylketones, bearing quaternary stereocenters, are produced with diastereocontrol (up to >20:1) and excellent enantiomeric excess (up to >99 ee).

Carbocation-forming reactions in ionic liquids

Creary, Xavier,Willis, Elizabeth D.,Gagnon, Madeleine

, p. 18114 - 18120 (2007/10/03)

A number of trifluoroacetates, mesylates, and triflates have been studied in ionic liquids. Several lines of evidence indicate that all of these substrates react via ionization to give carbocationic intermediates. For example, cumyl trifluoroacetates give mainly the elimination products, but the Hammett ρ+ value of -3.74 is consistent with a carbocationic process. The analogous exo-2-phenyl-endo-3-deutero-endo-bicyclo-[2.2.1]hept-2-yl trifluoroacetate gives an elimination where loss of the exo-hydrogen occurs from a cationic intermediate. 1-Adamantyl mesylate and 2-adamantyl triflate react to give simple substitution products derived from capture of 1- and 2-adamantyl carbocations by the residual water in the ionic liquid. The triflate derivative of pivaloin, trans-2-phenylcyclopropylcarbinyl mesylate, 2,2-dimethoxycyclobutyl triflate, the mesylate derivative of diethyl (phenylhydroxymethyl)-thiophosphonate, and Z-1-phenyl-5-trimethylsilyl-3-penten- 1-yl trifluoroacetate all give products derived carbocation rearrangements (kΔ processes), anti-7-Norbornenyl mesylate gives products with complete retention of configuration, indicative of involvement of the delocalized 7-norbornenyl cation. 1,6-Methano[10]annulen-11-yl triflate reacts in [BMIM][NTf2] to give 1,6-methano[10]annulen-11-ol, along with naphthalene, an oxidized product derived from loss of trifluoromethanesulfinate ion. Analogous loss of CF3SO2- can be seen in reaction of PhCH(CF3)OTf. Ionic liquids are therefore viable solvents for formation of carbocationic intermediates via kc and k Δ processes.

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