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P-Bromophenacyl-8 P-Bromophenacyl Bromide/Crown is a specialized chemical compound derived from the bromination of phenacyl bromide, featuring a crown ether group. It is recognized for its potential applications in organic synthesis and pharmaceutical intermediates, and must be handled with care due to its reactivity and toxicological properties.

65679-14-3

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65679-14-3 Usage

Uses

Used in Organic Synthesis:
P-Bromophenacyl-8 P-Bromophenacyl Bromide/Crown is used as an intermediate in organic synthesis for the creation of various complex molecules. Its unique structure allows for specific reactivity and bonding, making it a valuable component in the synthesis of advanced compounds.
Used in Pharmaceutical Intermediates:
In the pharmaceutical industry, P-Bromophenacyl-8 P-Bromophenacyl Bromide/Crown is utilized as an advanced pharmaceutical intermediate. Its role is crucial in the development of new drugs, where its chemical properties contribute to the formation of active pharmaceutical ingredients.
Safety Precautions:
Due to its potential reactivity and toxicological properties, P-Bromophenacyl-8 P-Bromophenacyl Bromide/Crown must be handled with caution. It is essential to refer to its Material Safety Data Sheet for detailed information on physical attributes, reactivity, safety precautions, and disposal methods to ensure safe handling and use.

Check Digit Verification of cas no

The CAS Registry Mumber 65679-14-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,5,6,7 and 9 respectively; the second part has 2 digits, 1 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 65679-14:
(7*6)+(6*5)+(5*6)+(4*7)+(3*9)+(2*1)+(1*4)=163
163 % 10 = 3
So 65679-14-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H6BrNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2

65679-14-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-Bromophenyl)-2-oxoethyl thiocyanate

1.2 Other means of identification

Product number -
Other names [2-(4-bromophenyl)-2-oxoethyl] thiocyanate

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:65679-14-3 SDS

65679-14-3Relevant academic research and scientific papers

Visible-Light-Mediated Additive-Free Decarboxylative Ketonization Reaction of Acrylic Acids: An Access to α-Thiocyanate Ketones

Wang, Zhi-Lv,Chen, Jie,He, Yan-Hong,Guan, Zhi

, p. 3741 - 3749 (2021/03/09)

Visible-light-mediated additive-free decarboxylative functionalization of acrylic acids has been developed. The reaction uses inexpensive organic dye 9,10-dicyanoanthracene as a photocatalyst and uses the ubiquitous dioxygen as both an oxygen source and an oxidant. Through this mild and environmentally friendly method, a series of important α-thiocyanate ketones can be generated from easily available acrylic acids and ammonium thiocyanate. In addition, the facile transformation of product α-thiocyanate ketones makes this method have great potential for application in organic and pharmaceutical chemistry.

Visible-light-promoted thiocyanation of sp2C-H bonds over heterogeneous graphitic carbon nitrides

Chen, Wei,Li, Tingzhen,Peng, Xinwen

supporting information, p. 14058 - 14062 (2021/08/16)

Mesoporous graphitic carbon nitride (mpg-C3N4) has been developed as a metal-free heterogeneous photocatalyst for thiocyanation transformations. The reaction proceeds efficiently by utilizing air as a green oxidant under mild reaction conditions, which affords SCN-containing compounds in moderate to excellent yields. Meanwhile, the practicality of this protocol is further demonstrated by the reusability of the mpg-C3N4photocatalyst and the scaled-up reaction. Furthermore, detailed mechanistic studies clearly demonstrate the role of oxygen.

An ionic liquid supported on magnetite nanoparticles as an efficient heterogeneous catalyst for the synthesis of alkyl thiocyanates in water

Fallah-Mehrjardi, Mehdi,Sayyahi, Soheil

, p. 335 - 345 (2021/02/26)

The present study describes a convenient method to synthesize alkyl thiocyanates from alkyl halides with the use of a novel nanomagnetic-supported organocatalyst (MNP@PEG-ImCl). The new supported ionic liquid is fully characterized by field-emission scanning electron microscopy (FESEM), Fourier-transform infrared (FT-IR), energy dispersive X-ray analysis (EDAX), X-ray powder diffraction (XRD), transmission electron microscopy (TEM), vibrating sample magnetometry (VSM) as well as thermogravimetric analysis (TGA) techniques. It is noteworthy that we observed easy separation of the catalyst from the reaction mixture by a simple magnetic decantation and its reutilization many times without any appreciable loss of activities.

Imidazolium-Based Ionic Network as a Robust Heterogeneous Catalyst in Synthesis of Phenacyl Derivatives

Kakesh,Sayyahi,Badri,Tahanpesar

, p. 1218 - 1220 (2019/07/16)

A new imidazolium-based poly(ionic liquid) has been synthesized and used as a robust heterogeneous catalyst for the preparation of phenacyl derivatives by an SN2 reaction of different phenacyl bromides with a broad range of nucleophiles. The products are obtained in high yields under mild conditions. The catalyst can be recycled efficiently.

Visible-Light-Promoted Difunctionalization of Olefins Leading to α-Thiocyanato Ketones

Nan, Guangming,Yue, Huilan

supporting information, p. 1340 - 1345 (2018/05/03)

A simple and convenient visible-light-induced difunctionalization of alkenes with ammonium thiocyanate and dioxygen has been developed at room temperature. A series of α-thiocyanato ketones could be easily and efficiently obtained in moderate to good yields through the formation of C-S and C=O bonds simply by using nontoxic and inexpensive Na 2 -Eosin Y as a photocatalyst.

One-pot synthesis of (ethoxycarbonyl)difluoromethylthioethers from thiocyanate sodium and ethyl 2-(trimethylsilyl)-2,2-difluoroacetate (TMS-CF2CO2Et)

Xu, Lijun,Wang, Hongyu,Zheng, Changwu,Zhao, Gang

supporting information, p. 6057 - 6066 (2017/09/23)

An efficient one-pot cascade methodology for the synthesis of (ethoxycarbonyl)difluoromethyl thioethers is described. Benzyl, allyl, alkyl halides or diazonium salts as the starting materials together with thiocyanate sodium and TMS-CF2CO2Et in the presence of CsF or NaOAc afford a variety of the fluoroalkylthiolated products in moderate to good yields.

Integration of aqueous biphasic with magnetically recyclable systems: Polyethylene glycol-grafted Fe3O4 nanoparticles catalyzed phenacyl synthesis in water

Amini, Atefeh,Sayyahi, Soheil,Saghanezhad, Seyyed Jafar,Taheri, Narges

, p. 11 - 16 (2016/02/18)

The present work trends to define an efficient phenacyl catalytic synthesis method employing a new nano-magnetite-supported organocatalyst. Polyethylene glycol (PEG) was bonded successfully onto silica coated ferrite and the resultant nanoparticles (PEG@SiO2@Fe3O4) characterized by fourier transform infrared spectroscopy (FT-IR), atomic force microscopy (AFM), thermal gravimetric analysis (TGA), vibrating sample magnetometry (VSM), energy dispersive X-ray analysis (EDAX) and X-ray diffraction (XRD) that exhibited a good catalytic activity in the reaction. The nanoparticles could be easily separated from the reaction mixture by an external magnet and reused in seven reaction cycles without significant loss of activity.

Oxidant-free thiocyanation of phenols and carbonyl compounds under solvent-free conditions by AlCl 3/NH 4SCN

Nikoofar, Kobra,Gorji, Samareh

, p. 80 - 88 (2016/02/18)

A simple, efficient, solvent-free, and mild method for thiocyanation of phenols by ammonium thiocyanate (NH4SCN) in the presence of AlCl3 has been developed. This new methodology was used to prepare para-thiocyanated products in good to excellent yields at 70°C. In addition, the successful α-thiocyanation of various ketones has also been described. Finally, a plausible mechanism of thiocyanation has been suggested.

A 2-thiocyano HYPNONE derivatives method for the preparation of

-

Paragraph 0080-0083, (2016/10/10)

The invention discloses a method for preparing 2-sulfur cyano acetophenone derivatives. The method for preparing the 2-sulfur cyano acetophenone derivatives comprises the following steps: dissolving styrene derivatives and ammonium thiocyanate in a solvent, and reacting at 20-30 DEG C to obtain 2-sulfur cyano acetophenone derivatives. According to the method for preparing the 2-sulfur cyano acetophenone derivatives, the styrene derivatives are taken as starting materials; the raw materials are easily available and various in type; products prepared by the method have various in type, can be directly used and can also be used for other further reactions; meanwhile, the method is mild in reaction conditions and simple in reaction operation and post-processing process; an accelerant does not need to be added; the production process meets the green and chemical requirements, is relatively high in yield and is suitable for large-scale production.

Synthesis of ionic liquid-supported hypervalent iodine reagent and its application as a 'catch and release' reagent for α-substituted acetophenones

Muthyala, Manoj Kumar,Choudhary, Sunita,Kumar, Anil

, p. 14297 - 14303 (2014/04/17)

A novel imidazolium-based ionic liquid-supported hypervalent iodine reagent has been synthesized and employed for a 'catch and release' strategy with substituted acetophenones to generate various α-substituted acetophenones in good to excellent yields. The use of an ionic liquid-supported hypervalent iodine reagent avoids chromatographic separation for the purification of α-substituted acetophenones and thus makes the method greener.

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