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Phenyl vinyl sulfoxide is a chemical compound that exhibits unique reactivity and properties. It is known for its ability to participate as an acetylene equivalent in Diels-Alder reactions, and it can react with lithium enolates of ketones at low temperatures to yield bicyclo[n.2.0]alkan-1-ols. Additionally, it can react with in situ generated (dialkylamino)magnesium reagent to yield symmetrical β-(dialkylamino)dithioacetals.

20451-53-0

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20451-53-0 Usage

Uses

Used in Organic Synthesis:
Phenyl vinyl sulfoxide is used as a reagent in organic synthesis for its unique reactivity with various compounds. Its ability to participate as an acetylene equivalent in Diels-Alder reactions makes it a valuable component in the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
Phenyl vinyl sulfoxide is used as a building block in the development of pharmaceutical compounds. Its unique reactivity allows for the creation of novel drug candidates with potential therapeutic applications.
Used in Chemical Research:
Phenyl vinyl sulfoxide is used as a research tool in chemical laboratories to study the reactivity and properties of various compounds. Its unique behavior in reactions with lithium enolates and (dialkylamino)magnesium reagents provides valuable insights into the mechanisms of organic reactions and the development of new synthetic methods.

Synthesis Reference(s)

The Journal of Organic Chemistry, 61, p. 2260, 1996 DOI: 10.1021/JO960178X

Check Digit Verification of cas no

The CAS Registry Mumber 20451-53-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,4,5 and 1 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 20451-53:
(7*2)+(6*0)+(5*4)+(4*5)+(3*1)+(2*5)+(1*3)=70
70 % 10 = 0
So 20451-53-0 is a valid CAS Registry Number.
InChI:InChI=1/C8H8OS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H,1H2

20451-53-0 Well-known Company Product Price

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  • Aldrich

  • (213306)  Phenylvinylsulfoxide  95%

  • 20451-53-0

  • 213306-5G

  • 834.21CNY

  • Detail

20451-53-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name PHENYL VINYL SULFOXIDE

1.2 Other means of identification

Product number -
Other names Sulfoxide,phenyl vinyl

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:20451-53-0 SDS

20451-53-0Relevant academic research and scientific papers

Oxidation of aryl vinyl sulfides in the Butooh-Ti(OPri)4-(R,R)-diethyl tartrate system

Shainyan,Danilevich

, p. 1825 - 1827 (1998)

Oxidation of aryl vinyl sulfides into aryl vinyl sulfoxides in the ButOOH-Ti(OPri)4-(R, R)-diethyl tartrate system was studied. The process afforded low optical yields (no more than 5%). A model of the oxidation was proposed that allows interpreting the dependence of the reaction enantioselectivity on the structure of a substrate.

Divergent electrolysis for the controllable coupling of thiols with 1,2-dichloroethane: A mild approach to sulfide and sulfoxide

He, Jiaying,Ling, Changwu,Ling, Fei,Liu, Lei,Liu, Tao,Xu, Chao,Zhang, Wangqin,Zhong, Weihui

supporting information, p. 1342 - 1349 (2022/02/17)

Organosulfurs are important commodity chemicals and indispensable synthetic intermediates in modern chemistry that were traditionally synthesized using metal catalysts, oxidants or strong bases, which caused numerous environmental pollution issues. The divergent synthesis of these scaffolds via a single catalysis under catalyst and oxidant free conditions is a fantastic idea to overcome these drawbacks. Here, we report a safe, practical and eco-friendly electrochemical methodology for the controllable dechloro-coupling of 1,2-dichloroethane (DCE) with thiols, providing value-added β-chloroethylsulfurs, which serve as versatile building blocks in the efficient late-stage conversion to bioactive molecules. The mildness and practicality of this protocol was further demonstrated by the total synthesis of anti-gout drug sulfinpyrazone in a 32% total yield over three steps.

Surface decorated magnetic nanoparticles with Mn-porphyrin as an effective catalyst for oxidation of sulfides

Rayati, Saeed,Shokoohi, Saeedeh

, (2021/07/19)

Mn-porphyrin complex was anchored coordinatively to silica-coated surface of magnetic nanoparticles (SMNP). Afterward, a heterogeneous nanocatalyst (Fe3O4@SiO2-MnTCPP) has been characterized by Fourier transform infrared (FT-IR), ultraviolet-visible (UV-vis) spectroscopy, powder X-ray diffraction (XRD), scanning electron microscopy (SEM), vibrating sample magnetometry (VSM), thermogravimetric analysis (TGA), and transmission electron microscope (TEM). A thermal stability up to around 350°C was verified for prepared nanocatalyst based on thermogravimetric analysis. Finally, the catalytic performance of magnetically recoverable Mn-catalyst was exploited in the green oxidation of different sulfides with urea hydrogen peroxide (UHP) in the presence of imidazole as co-catalyst in ethanol under heterogeneous conditions. The eco-friendly property of ethanol strongly induced us to employ it as the reaction solvent in this oxidation system. Complete conversion (≥99) of sulfides to the corresponding sulfoxide or sulfones was obtained for ethyl phenyl sulfide, phenyl vinyl sulfide, diallyl sulfide, thiocyanatoethane, 2-ethyl mercaptoethanol and tetrahydrothiophene. Moreover, the recovered catalysts keep constant conversion yield up to at least three cycles.

Accelerated Oxidation of Organic Sulfides by Microdroplet Chemistry

Li, Jia,Liu, Chengyuan,Chen, Hao,Zare, Richard N.

, p. 5011 - 5015 (2021/04/02)

We report the rapid oxidation of organic sulfides to sulfoxides by means of microdroplet chemistry at room temperature using a spray solution containing an organic sulfide dissolved in water/methanol, dilute (11%-14%) sodium hypochlorite (NaClO), and 5% chloroauric acid (HAuCl4). Ultrasonic nebulization, easy ambient sonic-spray ionization, or electrosonic spray ionization serves as the microdroplet source. High-resolution mass spectrometry was used as an online detector, and nuclear magnetic resonance was used as an offline detector. We found that the sulfoxide yields vary between 66 and 95%, the highest rate of product formation is 195 mg/min for benzyl phenyl sulfoxide, and the time required is a few minutes, which is much less than that required for the conventional means of achieving this chemical transformation. We also applied this microdroplet method to protein fingerprinting. We found that protein sequences containing methionine can be quickly oxidized, providing useful information for protein structure determinations.

Accessing Enantiopure Epoxides and Sulfoxides: Related Flavin-Dependent Monooxygenases Provide Reversed Enantioselectivity

Heine, Thomas,Scholtissek, Anika,Hofmann, Sarah,Koch, Rainhard,Tischler, Dirk

, p. 199 - 209 (2019/11/13)

Enantiopure organic compounds are of major importance for the chemical and pharmaceutical industry. Flavin-dependent group E monooxygenases, composed of monooxygenase and reductase, are known to perform epoxidation of substituted alkenes as well as sulfoxidation in a regio- and enantioselective fashion. Group E is divided into styrene monooxygenases (SMO) and indole monooxygenases (IMO). Hitherto mainly SMOs have been characterized. In this study, we assayed 31 monooxygenases from both types, while 23 of which showed activity. They almost exclusively produced (S)-styrene oxide at high enantiomeric excess with maximum activities of 0.73 μmol min?1 mg?1 (kcat=0.54 s?1). In case of sulfoxidation, we found that the enantioselectivity is contrary between both types. IMOs preferably produce the (S)-enantiomer while SMOs have a tendency to produce the (R)-enantiomer. Sequence analysis and molecular docking of substrates allowed identifying fingerprint motives: SMO N46-V48-H50-Y73-H76-S96 and IMO S46-Q48-M50-V/I73-I76-A96. These form an essential part of the active site while the loop (AS44-51) interacts with the co-substrate and other amino acids direct the substrate. The motives clearly distinguish group E monooxygenases and define the enantioselectivity and thus direct biotechnological applications. Two-hour biotransformations with several sulfides in conjunction with upscale experiments (10 and 100 mg scale) resulted in the identification of promising candidates for the realization of biocatalytic processes.

Continuous bioinspired oxidation of sulfides

Crociani, Letizia,Mangiavacchi, Francesca,Marini, Francesca,Sancineto, Luca,Santi, Claudio

, (2020/07/02)

A simple, efficient, and selective oxidation under flow conditions of sulfides into their corresponding sulfoxides and sulfones is reported herein, using as a catalyst perselenic acid generated in situ by the oxidation of selenium (IV) oxide in a diluted aqueous solution of hydrogen peroxide as the final oxidant. The scope of the proposed methodology was investigated using aryl alkyl sulfides, aryl vinyl sulfides, and dialkyl sulfides as substrates, evidencing, in general, a good applicability. The scaled-up synthesis of (methylsulfonyl)benzene was also demonstrated, leading to its gram-scale preparation.

Sulfoxidation inside a hypercrosslinked microporous network nanotube catalyst

Shi, Zhaocheng,Ying, Zhong,Yang, Liusai,Meng, Xiaoyan,Wu, Lidan,Yu, Leshu,Huang, Sen,Xiong, Linfeng

supporting information, p. 1542 - 1547 (2020/02/06)

In the present work, a kind of efficient heterogeneous catalyst was synthesized from amine-functionalized hypercrosslinked bottlebrush copolymers of microporous network nanotubes (amine-MNNs) and Na2WO4. The synthesized tungstate-supported microporous network nanotubes (TMNNs) catalyst was shown to be highly active in the selective H2O2 oxidation of sulfides to sulfoxides or sulfones under mild conditions due to the high specific surface area (800 m2 g-1) and firm structure of the nanotubes. The catalyst was found to be very stable and could be recycled at least 8 times without any significant loss of activity. These results present a new opportunity for the development of efficient green organic catalytic materials with high activity.

A manganese(iii) Schiff base complex immobilized on silica-coated magnetic nanoparticles showing enhanced electrochemical catalytic performance toward sulfide and alkene oxidation

Elmi, Bahareh,Jafarian, Majid,Khodaei, Elham,Nafarieh, Parinaz,Rayati, Saeed,Wojtczak, Andrzej

, p. 17026 - 17036 (2020/05/18)

In this study, a novel Mn(iii)-Schiff base complex was synthesized and characterized. The structure of this complex was determined to be a deformed octahedral coordination sphere by single-crystal X-ray diffraction analysis. The Mn(iii)-Schiff base complex was supported on silica-coated iron magnetic nanoparticlesviaaxial coordination by one-step complex anchoring to produce a heterogenized nanocatalyst. After this, the complex was characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDX), thermogravimetric analysis (TGA), vibrating sample magnetometry (VSM), and powder X-ray diffraction (XRD). Moreover, atomic absorption spectroscopy was used to determine the amount of the loaded metal. The heterogenized nanocatalyst effectively catalyzed the oxidation of a broad range of sulfides and alkenes with H2O2in the presence of a glassy carbon electrode, applying voltage to the reaction mixture. The results showed that the application of a potential to the reaction mixture could significantly decrease the reaction time when compared with the case of similar chemical oxidation reactions. In addition, an excellent value of turnover frequency (17?750 h-1) was achieved for the electrochemical oxidation of styrene. Moreover, the nanocatalyst showed good recoverability without significant loss of its activity within six successive runs in the electrochemical oxidation of methyl phenyl sulfide and cyclooctene. The electrochemical properties and stability of Fe3O4?SiO2-[MnL(OAc)] were investigated by cyclic voltammetry measurements and chronoamperometry technique.

Highly Efficient Access to (S)-Sulfoxides Utilizing a Promiscuous Flavoprotein Monooxygenase in a Whole-Cell Biocatalyst Format

Willrodt, Christian,Gr?ning, Janosch A. D.,Nerke, Philipp,Koch, Rainhard,Scholtissek, Anika,Heine, Thomas,Schmid, Andreas,Bühler, Bruno,Tischler, Dirk

, p. 4664 - 4671 (2020/01/22)

Chiral sulfoxides have gained attention as synthons and precursors for API synthesis. Flavoproteins such as Baeyer-Villiger or styrene monooxygenases mainly provide access to (R)-sulfoxides and often suffer from low selectivity, activity, and/or limited substrate scope. The flavoprotein monooxygenase AbIMO from Acinetobacter baylyi ADP1 initiates indole degradation. Here, AbIMO was expressed recombinantly in E. coli and characterized for its sulfoxidation activity and substrate spectrum. Next to indole and styrene, AbIMO was found to accept numerous alkyl aryl sulfides as substrates, transforming them to (S)-sulfoxides with high enantioselectivity (95 percent to '99 percent for most sulfides). The formulation as a whole-cell biocatalyst allowed specific production rates of up to 370 U gcdw?1 – the highest specific oxygenase activity achieved in whole cells so far – and the preparative synthesis of enantiopure (S)-aryl alkyl sulfoxides. With its extraordinarily high specific activity, high specificity, ease of handling, and high stability (catalyst is stable for '16 days at 4 °C), the designed whole-cell biocatalyst adds enormous value to the portfolio of chemical and biological catalysts for asymmetric sulfoxide synthesis.

Water-soluble polymer anchored peroxotitanates as environmentally clean and recyclable catalysts for mild and selective oxidation of sulfides with H2O2 in water

Ahmed, Kabirun,Saikia, Gangutri,Paul, Sivangi,Baruah, Satyajit Dey,Talukdar, Hiya,Sharma, Mitu,Islam, Nashreen S.

, (2019/10/02)

Anchoring of peroxotitanium (pTi) species to linear water-soluble acrylic acid based polymers, poly(sodium acrylate) (PA) and poly(sodium methacrylate) (PMA) led to the successful synthesis of a pair of new, water-tolerant and recyclable catalysts of the type [Ti2(O2)2O2(OH)2]4-—L (L = PA or PMA), highly effective in chemoselective sulfoxidation of organic sulfides with 30% H2O2 in aqueous medium at ambient temperature. The catalytic protocol is high yielding (TOF up to 11,280 h?1), operationally simple as well as environmentally clean and safe, being free from halide, or any other toxic auxiliaries. The catalysts are sufficiently stable to afford easy recyclability for at least 10 consecutive reaction cycles of sulfoxidation with consistent activity selectivity profile. Oxidation of dibenzothiophene (DBT) to respective high purity sulfoxide or sulfone could also be accomplished using the same catalysts by variation of reaction conditions.

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