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2,2,2-Trifluoro-1-phenylethyl 4-methylbenzenesulfonate is a chemical compound with the molecular formula C16H15F3O3S. It is a sulfonate ester derivative characterized by the presence of a trifluoromethyl group and a phenylethyl moiety attached to a 4-methylbenzenesulfonate group. 2,2,2-trifluoro-1-phenylethyl 4-methylbenzenesulfonate is known for its versatile reactivity and applications in various chemical reactions and processes.

13652-13-6

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13652-13-6 Usage

Uses

Used in Pharmaceutical Industry:
2,2,2-Trifluoro-1-phenylethyl 4-methylbenzenesulfonate is used as a reagent or intermediate in organic synthesis for the production of various drugs and biologically active compounds. Its unique chemical structure allows for the creation of new pharmaceutical agents with potential therapeutic benefits.
Used in Agrochemicals:
In the agrochemical industry, 2,2,2-trifluoro-1-phenylethyl 4-methylbenzenesulfonate serves as a key intermediate in the synthesis of various agrochemical products. Its incorporation into these products can enhance their effectiveness in agricultural applications.
Used in Organic Synthesis:
2,2,2-Trifluoro-1-phenylethyl 4-methylbenzenesulfonate is used as a building block for the synthesis of other complex organic molecules. Its versatile reactivity makes it a valuable component in the creation of a wide range of organic compounds for various applications.
Used in Chemical Reactions and Processes:
The chemical structure of 2,2,2-trifluoro-1-phenylethyl 4-methylbenzenesulfonate allows for its involvement in various chemical reactions and processes. Its unique properties enable it to act as a catalyst, reactant, or intermediate in the synthesis of new compounds and materials.

Check Digit Verification of cas no

The CAS Registry Mumber 13652-13-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,6,5 and 2 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 13652-13:
(7*1)+(6*3)+(5*6)+(4*5)+(3*2)+(2*1)+(1*3)=86
86 % 10 = 6
So 13652-13-6 is a valid CAS Registry Number.

13652-13-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (2,2,2-trifluoro-1-phenylethyl) 4-methylbenzenesulfonate

1.2 Other means of identification

Product number -
Other names 2,2,2-trifluoro-1-phenylethyl tosylate

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:13652-13-6 SDS

13652-13-6Relevant academic research and scientific papers

Synthesis of α-(trifluoromethyl)phenylacetonitrile. Anomalous reactions of α-tosyloxy-α-(trifluoromethyl)phenylacetonitrile with sodium borohydride

Nemeth, Gabor,Poszavacz, Laszlo,Bozsing, Daniel,Simig, Gyula

, p. 87 - 90 (1996)

The hitherto unknown α-(trifluoromethyl)phenylacetonitrile has been synthesized by reduction of the cyanohydrin of α,α,α-trifluoroacetophenone.Sodium borohydride reduction of the corresponding cyanohydrin tosylate resulted in reductive decyanation in dimethyl sulphoxide and in reduction of the nitrile group in t-butanol. - Keywords: Synthesis; α-(Trifluoromethyl)phenylacetonitrile; Anomalous reactions; Sodium borohydride; NMR spectroscopy; IR spectroscopy, Mass spectrometry

Monofluorovinyl tosylate: A useful building block for the synthesis of terminal vinyl monofluorides via suzuki-Miyaura coupling

Zhang, He,Zhou, Chang-Bing,Chen, Qing-Yun,Xiao, Ji-Chang,Hong, Ran

, p. 560 - 563 (2011/04/23)

Monofluorovinyl tosylate was developed as a practical vinyl fluoride building block to couple with a variety of arylboronic acids in the presence of a palladium catalyst. The high stereoselectivity of 2-aryl-1-fluoroethene derivatives was achieved. This a

Profiling sulfonate ester stability: Identification of complementary protecting groups for sulfonates

Miller, Stephen C.

supporting information; experimental part, p. 4632 - 4635 (2010/09/17)

(Figure presented) Sulfonation is prized for its ability to impart water-solubility to hydrophobic molecules such as dyes. This modification is usually performed as a final step, since sulfonated molecules are poorly soluble in most organic solvents, which complicates their synthesis and purification. This work compares the intrinsic lability of different sulfonate esters, identifying new sulfonate protecting groups and mild, selective cleavage conditions.

Solvolysis of 1-Aryl-2,2,2-trifluoroethyl Sulfonates. Kinetic and Stereochemical Effects in the Generation of Highly Electron-Deficient Carbocations

Allen, Annette D.,Ambidge, I. Christopher,Che, Claudius,Micheal, Hany,Muir, Ronald J.,Tidwell, Thomas T.

, p. 2343 - 2350 (2007/10/02)

Solvolysis rates of sulfonates XC6H4CH(O3SR)CF3 (R = p-Tol or CF3) correlate with ?+(X) with values of ρ+ between -6.7 and -11.9 depending upon solvent.For the tosylates the rates depend on the solvent parameter YOTs with

Proton-Transfer Reactions. 2. Effects of Internal Return on Reactivity Difference between Alkoxide-Promoted Eliminations in tert-Butyl alcohol and Ethyl Alcohol

Koch, H. F.,Tumas, W.,Knoll, R.

, p. 5423 - 5429 (2007/10/02)

Kinetics of alkoxide-promoted dehydrofluorination reactions are reported for the series C6H5CH2CH2F (I), C6H5CH2CHF2 (II), C6H5CH2CF3 (III), and C6H5CH2CF2CF3 (V).Rates and activation parameters 3 (M-1 s-1)(50 deg C), ΔH* (kcal mol-1), and ΔS*, (eu)> are respectively: (a) using potassium tert-butoxide in tert-butyl alcohol, I (1.88 * 10-4, 19.1, -16.8), II (1.18 * 10-3, 20.3, -9.3), III (2.15 * 10-3, 22.1, -2.4), V (3.93 * 10-2, 16.9, -12.7); and (b) using sodium ethoxide in ethanol, I (1.32 * 10-6, 25.6, -6.5), II (5.28 * 10-7, 29.7, 3.0), III (3.45 * 10-7, 32.6, 12.5), V (5.41 * 10-5, 27.7, 7.6).The variation in tert-butoxide:ethoxide ratios of 140 (I), 2200 (II), 6200 (III), and 730 (V) are discussed in terms of a two-step mechanism with varying amounts of internal return for II, III, and V.Differences in reactivity for groups attached to the benzylic carbon (-CF3, -CF2Cl, -CHF2, -CF2CF3) and variation of ΔS* values for these reactions are also discussed in terms of a two-step mechanism.

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