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Benzeneacetonitrile, 2-fluoro-α-[(trimethylsilyl)oxy]is an organic compound that serves as an intermediate in the synthesis of various pharmaceutical compounds. It is characterized by the presence of a benzene ring, an alpha-fluoro group, and a trimethylsilyl ether group attached to an acetonitrile moiety. This unique structure makes it a valuable building block in the development of new drugs and other chemical products.

82128-76-5

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82128-76-5 Usage

Uses

Used in Pharmaceutical Synthesis:
Benzeneacetonitrile, 2-fluoro-α-[(trimethylsilyl)oxy]is used as a key intermediate in the synthesis of 1-Cyclopropyl-2-(2-fluorophenyl)-2-hydroxy-ethanone (C989465), which is a crucial synthetic intermediate for the production of Prasugrel (P701150, HCl). Prasugrel is an antiplatelet agent that helps prevent blood clots and is used in the treatment of various cardiovascular conditions.
In the synthesis process, Benzeneacetonitrile, 2-fluoro-α-[(trimethylsilyl)oxy]plays a critical role in the formation of the desired product, Prasugrel, by undergoing a series of chemical reactions. Its unique structure allows for selective functionalization and modification, enabling the development of new and improved pharmaceutical compounds with enhanced therapeutic properties.
Overall, Benzeneacetonitrile, 2-fluoro-α-[(trimethylsilyl)oxy]is an essential component in the pharmaceutical industry, contributing to the development of life-saving drugs and advancing the field of medicinal chemistry. Its versatile structure and reactivity make it a valuable asset in the synthesis of a wide range of chemical products, with potential applications extending beyond the realm of pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 82128-76-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,2,1,2 and 8 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 82128-76:
(7*8)+(6*2)+(5*1)+(4*2)+(3*8)+(2*7)+(1*6)=125
125 % 10 = 5
So 82128-76-5 is a valid CAS Registry Number.

82128-76-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name α-[(trimethylsilyl)oxy]-α-(o-fluorophenyl)acetonitrile

1.2 Other means of identification

Product number -
Other names α-(trimethylsilyloxy)-2-fluorobenzeneacetonitrile

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:82128-76-5 SDS

82128-76-5Relevant academic research and scientific papers

Crystal transformation in Mn(ii) metal-organic frameworks based on a one-dimensional chain precursor

Fan, Yong,Gong, Yiran,Jiang, Yansong,Liu, Rui,Wang, Li,Xu, Jianing

, p. 9540 - 9546 (2021/07/17)

The solvothermal reaction of Mn(ii) salts and 5-((4′-(tetrazol-5′′-yl)benzyl)oxy)isophthalic acid (H3L) affords an Mn(ii) based coordination polymer Mn(H2L)2(H2O)2(1), which possesses a one-dimensiona

Temperature-induced Sn(II) supramolecular isomeric frameworks as promising heterogeneous catalysts for cyanosilylation of aldehydes

Sheng, Kai,Fan, Li-Ming,Tian, Xue-Fei,Gupta, Rakesh Kumar,Gao, Linna,Tung, Chen-Ho,Sun, Di

, p. 182 - 186 (2019/12/24)

Two novel Sn(II) supramolecular isomeric frameworks, with the identical formula of {(NH2Me2)2[Sn(BDC)(SO4)]}n, Sn-CP-1-α (1) and Sn-CP-1-β (2) (H2BDC=terephthalic acid) were synthesized und

Manganese-organic framework assembled by 5-((4′-(tetrazol-5″-yl)benzyl)oxy)isophthalic acid: A solvent-free catalyst for the formation of carbon–carbon bond

Jiang, Yansong,Xu, Jianing,Zhu, Ziqian,Jiang, Changwei,Ma, Lin,Wang, Hui,Wang, Li,Fan, Yong

supporting information, (2020/05/25)

A new three-dimensional manganese-based metal–organic framework Mn4L2(HL)(H2O)5, (1), based on semi-rigid 5-((4′-(tetrazol-5′’-yl)benzyl)oxy)isophthalic acid ligand (H3L) have been prepared and charac

Discovery of the First in Vivo Active Inhibitors of the Soluble Epoxide Hydrolase Phosphatase Domain

Kramer, Jan S.,Woltersdorf, Stefano,Duflot, Thomas,Hiesinger, Kerstin,Lillich, Felix F.,Kn?ll, Felix,Wittmann, Sandra K.,Klingler, Franca-M.,Brunst, Steffen,Chaikuad, Apirat,Morisseau, Christophe,Hammock, Bruce D.,Buccellati, Carola,Sala, Angelo,Rovati, G. Enrico,Leuillier, Matthieu,Fraineau, Sylvain,Rondeaux, Julie,Hernandez-Olmos, Victor,Heering, Jan,Merk, Daniel,Pogoryelov, Denys,Steinhilber, Dieter,Knapp, Stefan,Bellien, Jeremy,Proschak, Ewgenij

, p. 8443 - 8460 (2019/10/16)

The emerging pharmacological target soluble epoxide hydrolase (sEH) is a bifunctional enzyme exhibiting two different catalytic activities that are located in two distinct domains. Although the physiological role of the C-terminal hydrolase domain is well-investigated, little is known about its phosphatase activity, located in the N-terminal phosphatase domain of sEH (sEH-P). Herein we report the discovery and optimization of the first inhibitor of human and rat sEH-P that is applicable in vivo. X-ray structure analysis of the sEH phosphatase domain complexed with an inhibitor provides insights in the molecular basis of small-molecule sEH-P inhibition and helps to rationalize the structure-activity relationships. 4-(4-(3,4-Dichlorophenyl)-5-phenyloxazol-2-yl)butanoic acid (22b, SWE101) has an excellent pharmacokinetic and pharmacodynamic profile in rats and enables the investigation of the physiological and pathophysiological role of sEH-P in vivo.

Synthesis of organoaluminum chalcogenides and their applications in Lewis acid catalysis

Ding, Yi,Ma, Xiaoli,Liu, Yashuai,Liu, Wenqing,Ni, Congjian,Yan, Ben,Yan, Li,Yang, Zhi

, (2019/08/27)

Two chalcogenide bridged bi-aluminum compounds [LAl(NMe3)(μ-S)Al(NMe3)L] (1) and [LAl(NMe3)(μ-Se)Al(NMe3)L] (2) were synthesized by reacting LAlH(NMe3) (L = 4-methylbenzylidene-o-aminothiophenol) with

PhI(OAc)2-mediated alkoxyoxygenation of β,γ-unsaturated ketoximes: Preparation of isoxazolines bearing two contiguous tetrasubstituted carbons

Ye, Chenghao,Kou, Xuezhen,Yang, Guoqiang,Shen, Jiefeng,Zhang, Wanbin

supporting information, p. 1148 - 1152 (2019/03/26)

A PhI(OAc)2-promoted dioxygenation of allyl oximes, including one alkoxylation, has been developed. This reaction can give isoxazoline products bearing two contiguous tetrasubstituted carbons. Various oximes substrates bearing different aryl groups and tetrasubstituted-olefin moieties were compatible with the mild reaction conditions. A two-electron oxidation pathway was proposed based on results of preliminary mechanistic studies.

Low-valent magnesium(i)-catalyzed cyanosilylation of ketones

Wang, Weifan,Luo, Man,Li, Jia,Pullarkat, Sumod A.,Ma, Mengtao

supporting information, p. 3042 - 3044 (2018/03/28)

The magnesium(i) complex [(XylNacnac)Mg]2 was employed as a highly efficient catalyst for the cyanosilylation of a variety of ketones with trimethylsilyl cyanide under mild conditions. In contrast to the traditional stoichiometric us

Preparation method of cyanalcohol silyl ether compound

-

Paragraph 0053; 0054; 0055, (2019/01/06)

The invention discloses a preparation method of a cyanalcohol silyl ether compound. The preparation method comprises usage of a catalyst, the catalyst is a tridentate forceps-shaped ligand-stabilizedmagnesium lithium bimetallic compound. According to the

Efficient and selective aldehyde cyanosilylation catalyzed by Mg-Li bimetallic complex

Li, Jia,Yu, Ting,Luo, Man,Xiao, Qian,Yao, Weiwei,Xu, Li,Ma, Mengtao

, p. 83 - 86 (2018/09/06)

A NCN-pincer ligand-based Mg-Li bimetallic complex [NCN-MgBr2][Li(THF)4] 1 has been employed as an efficient catalyst for cyanosilylation of a wide range of aldehydes with trimethylsilyl cyanide (TMSCN) at room temperature in CDClsu

Synthesis of [LAl(μ-S)2AlL] (L?=?HC(CMeNAr)2, Ar?=?2,6-Et2C6H3) with the insertion of sulfur into the Al–H bonds of LAlH2 and its application in catalysis

Zhong, Mingdong,Liu, Ying,Liu, Xin,Ma, Xiaoli,Yang, Zhi

supporting information, p. 182 - 185 (2017/05/24)

Two aluminum complexes [LAl(μ-S)2AlL] (1) and [LAl(SeH)2] (2) were synthesized in good yield by reacting one equivalent of LAlH2 (L?=?HC(CMeNAr)2, Ar?=?2,6-Et2C6H3) with one equivalent of S and with two equivalents of Se without any catalysts, respectively. Complexes 1 and 2 have been characterized by 1H and 13C NMR, elemental analyses, and single crystal X-ray structural analysis. Furthermore, the good catalytic activity of 1 as bimetallic Lewis acid catalyst for the addition reaction of TMSCN to aldehydes and aldimine condensation reactions, respectively, were investigated.

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