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709-63-7

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709-63-7 Usage

Synthesis

41.6 g of chlorocyclohexane (0.35 mol) were added dropwise to a suspension of 4.65 g of lithium particles (0.68 mol) in 350 g of THF at -55 °C, and an addition time of 2 hours was chosen. After >97% chlorocyclohexane conversion by GC (10 hours), a mixture of 38.3 g of 4-bromotrifluorotoluene (0.170 mol) and 7.0 g of acetonitrile (0.170 mol) was added dropwise at the same temperature for 15 minutes. After stirring for an additional 30 minutes at -50°C, the reaction mixture was slowly thawed to room temperature and subjected to an aqueous workup in a conventional manner. The yield of 4-trifluoromethylacetophenone after distillation was 81%.

Uses

A labelled acetophenone with selective antimycobacterial activity.

General Description

The enantioselective addition of dialkylzinc to 4′-(trifluoromethyl)acetophenone mediated by 1,2-bis(hydroxycamphorsulfonamido)cyclohexenes in the presence of titanium tetraisopropoxide has been investigated. Phosphorescence emission spectra of 4′-(trifluoromethyl)acetophenone has been studied using pulsed source phosphorimetry.

Purification Methods

Purify the ketone by distillation or sublimation in vacuo.[Beilstein 7 IV 1404.]

Check Digit Verification of cas no

The CAS Registry Mumber 709-63-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,0 and 9 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 709-63:
(5*7)+(4*0)+(3*9)+(2*6)+(1*3)=77
77 % 10 = 7
So 709-63-7 is a valid CAS Registry Number.
InChI:InChI=1/C2H4BrF2N/c3-2(4,5)1-6/h1,6H2

709-63-7 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (A15529)  4'-(Trifluoromethyl)acetophenone, 98+%   

  • 709-63-7

  • 5g

  • 533.0CNY

  • Detail
  • Alfa Aesar

  • (A15529)  4'-(Trifluoromethyl)acetophenone, 98+%   

  • 709-63-7

  • 25g

  • 2028.0CNY

  • Detail
  • Alfa Aesar

  • (A15529)  4'-(Trifluoromethyl)acetophenone, 98+%   

  • 709-63-7

  • 100g

  • 6413.0CNY

  • Detail

709-63-7SDS

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 4'-(Trifluoromethyl)acetophenone

1.2 Other means of identification

Product number -
Other names 1-[4-(trifluoromethyl)phenyl]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:709-63-7 SDS

709-63-7Relevant articles and documents

Synthesis of a series of new ruthenium organometallic complexes derived from pyridine-imine ligands and their catalytic activity in oxidation of secondary alcohols

Hao, Zhiqiang,Li, Ying,Li, Chen,Wu, Ruitao,Ma, Zhihong,Li, Suzhen,Han, Zhangang,Zheng, Xuezhong,Lin, Jin

, (2019)

Reactions of pyridine imines [C5H4N-2-C(H)?=?N-C6H4-R] [R?=?H (1), CH3 (2), OMe (3), CF3 (4), Cl (5), Br (6)] with Ru3(CO)12 in refluxing toluene gave the corresponding dinuclear ruthenium carbonyl complexes of the type {μ-η2-CH[(2-C5H4N)(N-C6H4-R)]}2Ru2(CO)4(μ-CO) [R?=?H (7); CH3 (8); OMe (9); CF3 (10); Cl (11); Br (12)]. All six novel complexes were separated by chromatography, and fully characterized by elemental analysis, IR, NMR spectroscopy. Molecular structures of 7, 10, 11, and 12 were determined by X-ray crystal diffraction. Further, the catalytic performance of these complexes was also tested. The combination of {μ-η2-CH[(2-C5H4N)(N-C6H4-R)]}2Ru2(CO)4(μ-CO) and NMO afforded an efficient catalytic system for the oxidation of a variety secondary alcohols.

Lewis Acidic Boranes, Lewis Bases, and Equilibrium Constants: A Reliable Scaffold for a Quantitative Lewis Acidity/Basicity Scale

Mayer, Robert J.,Hampel, Nathalie,Ofial, Armin R.

supporting information, p. 4070 - 4080 (2021/01/29)

A quantitative Lewis acidity/basicity scale toward boron-centered Lewis acids has been developed based on a set of 90 experimental equilibrium constants for the reactions of triarylboranes with various O-, N-, S-, and P-centered Lewis bases in dichloromethane at 20 °C. Analysis with the linear free energy relationship log KB=LAB+LBB allows equilibrium constants, KB, to be calculated for any type of borane/Lewis base combination through the sum of two descriptors, one for Lewis acidity (LAB) and one for Lewis basicity (LBB). The resulting Lewis acidity/basicity scale is independent of fixed reference acids/bases and valid for various types of trivalent boron-centered Lewis acids. It is demonstrated that the newly developed Lewis acidity/basicity scale is easily extendable through linear relationships with quantum-chemically calculated or common physical–organic descriptors and known thermodynamic data (ΔH (Formula presented.)). Furthermore, this experimental platform can be utilized for the rational development of borane-catalyzed reactions.

One-Pot Chemoenzymatic Conversion of Alkynes to Chiral Amines

Mathew, Sam,Renn, Dominik,Rueping, Magnus,Sagadevan, Arunachalam

, p. 12565 - 12569 (2021/10/21)

A one-pot chemoenzymatic sequential cascade for the synthesis of chiral amines from alkynes was developed. In this integrated approach, just ppm amounts of gold catalysts enabled the conversion of alkynes to ketones (>99%) after which a transaminase was used to catalyze the production of biologically valuable chiral amines in a good yield (up to 99%) and enantiomeric excess (>99%). A preparative scale synthesis of (S)-methylbenzylamine and (S)-4-methoxy-methylbenzylamine from its alkyne form gave a yield of 59 and 92%, respectively, withee> 99%.

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