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B-PHENYLCINNAMONITRILE, also known as β-Diphenylacrylonitrile, is an organic compound with the chemical formula C15H11N. It is a reagent used in the synthesis of various compounds, particularly those related to human melatonin receptors.

3531-24-6

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3531-24-6 Usage

Uses

Used in Pharmaceutical Industry:
B-PHENYLCINNAMONITRILE is used as a reagent for the preparation of N-diarylpropenyl and N-diarylpropyl amides. These amides serve as ligands for the human melatonin receptors MT1 and MT2, which play a crucial role in regulating sleep-wake cycles, mood, and other physiological processes. The application of B-PHENYLCINNAMONITRILE in this context aids in the development of potential treatments for sleep disorders, mood disorders, and other conditions related to melatonin receptor dysfunction.

Check Digit Verification of cas no

The CAS Registry Mumber 3531-24-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,5,3 and 1 respectively; the second part has 2 digits, 2 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 3531-24:
(6*3)+(5*5)+(4*3)+(3*1)+(2*2)+(1*4)=66
66 % 10 = 6
So 3531-24-6 is a valid CAS Registry Number.
InChI:InChI=1/C15H11N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H

3531-24-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,3-diphenylprop-2-enenitrile

1.2 Other means of identification

Product number -
Other names 3-Phenylcinnamonitrile

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:3531-24-6 SDS

3531-24-6Relevant academic research and scientific papers

Reaction of tetramethylammonium fluoride with trifluoromethyltrimethylsilane

Adams, Dave J.,Clark, James H.,Hansen, Liv B.,Sanders, Victoria C.,Tavener, Stewart J.

, p. 123 - 125 (1998)

Tetramethylammonium fluoride reacts with either triluoromethyltrimethylsilane or trimethylsilylacetonitrile in acetonitrile to form a pentacoordinate silicon species, which can act as a source of either fluoride or cyanomethyl carbanion, depending on substrate.

AlBr3-Promoted stereoselective anti-hydroarylation of the acetylene bond in 3-arylpropynenitriles by electron-rich arenes: Synthesis of 3,3-diarylpropenenitriles

Gorbunova, Yelizaveta,Ryabukhin, Dmitry S.,Vasilyev, Aleksander V.

, p. 2663 - 2667 (2021/11/30)

Reactions of 3-arylpropynenitriles (ArC≡CCN) with electron-rich arenes (Ar'H, benzene and its polymethylated derivatives) under the action of aluminum bromide (AlBr3, 6 equiv) at room temperature for 0.5-2 h result in the stereoselective formation of 3,3-

Formation of Tetrahydrothiophenes via a Thia-Paternò-Büchi-Initiated Domino Photochemical Reaction

Kassir, Ahmad F.,Guillot, Régis,Scherrmann, Marie-Christine,Boddaert, Thomas,Aitken, David J.

, p. 8522 - 8527 (2020/11/12)

We have established photochemical access to thietane or tetrahydrothiophene compounds from thiobenzophenone derivatives and acrylonitrile, wherein the product selectivity is controlled by a simple adjustment of the reagent concentration in solution. Small libraries of five-membered ring sulfur-containing compounds were prepared through a thia-Paternò-Büchi reaction, followed by a previously unknown regioselective photochemical ring enlargement reaction in a domino process or a stepwise fashion. A mechanism is proposed to rationalize this ring enlargement reaction via a carbene species provided from photoexcited thiocarbonyl compounds.

Nickel-Catalyzed Transformation of Alkene-Tethered Oxime Ethers to Nitriles by a Traceless Directing Group Strategy

Takahashi, Yoshiyuki,Tsuji, Hiroaki,Kawatsura, Motoi

, p. 2654 - 2665 (2020/02/04)

Nickel-catalyzed transformation of alkene-tethered oxime ethers to nitriles using a traceless directing group strategy has been developed. A series of alkene-tethered oxime ethers derived from benzaldehyde and cinnamyl aldehyde derivatives were converted into the corresponding benzonitriles and cinnamonitriles in 46-98% yields using the nickel catalyst system. Control experiments showed that the alkene group tethered to an oxygen atom on the oximes via one methylene unit plays a key role as a traceless directing group during the catalysis.

5-(Cyano)dibenzothiophenium Triflate: A Sulfur-Based Reagent for Electrophilic Cyanation and Cyanocyclizations

Li, Xiangdong,Golz, Christopher,Alcarazo, Manuel

supporting information, p. 9496 - 9500 (2019/06/27)

The synthesis of 5-(cyano)dibenzothiophenium triflate 9, prepared by activation of dibenzo[b,d]thiophene-5-oxide with Tf2O and subsequent reaction with TMSCN is reported, and its reactivity as electrophilic cyanation reagent evaluated. The scalable preparation, easy handling and broad substrate scope of the electrophilic cyanation promoted by 9, which includes amines, thiols, silyl enol ethers, alkenes, electron rich (hetero)arenes and polyaromatic hydrocarbons, illustrate the synthetic potential of this reagent. Importantly, Lewis acid activation of the reagent is not required for the transfer process. We additionally report herein biomimetic cyanocyclization cascade reactions, which are not promoted by typical electrophilic cyanation reagents, demonstrating the superior ability of 9 to trigger challenging transformations.

Method of coupling, and the coupling method using the aromatic group-substituted heterocyclic compound

-

Paragraph 0234-0235; 0237, (2020/09/17)

Provided is an easy method (coupling method) capable of easily synthesizing a compound group in which aromatic molecules and aromatic molecules are coupled, a compound group in which aromatic molecules and alkene molecules are coupled, and the like without producing halogen waste and without the need to use scarce and expensive palladium. A compound (A) shown by general formula (A): Ar-H and a compound (B1) shown by general formula (B1): RaOCO-Ar', a compound (B2) shown by general formula (B2): RbCH=C(Ar")2, or a compound (B3) shown by general formula (B3): RcOCOCH=C(Ar")2 are reacted in the presence of a nickel compound.

Metal-Free Direct C?H Cyanation of Alkenes

Wang, Xi,Studer, Armido

supporting information, p. 11792 - 11796 (2018/09/10)

A metal-free and direct alkene C?H cyanation is described. Directing groups are not required and the mechanism involves electrophilic activation of the alkene by a cyano iodine(III) species generated in situ from a [bis(trifluoroacetoxy)iodo]arene and tri

Stable and reusable nanoscale Fe2O3-catalyzed aerobic oxidation process for the selective synthesis of nitriles and primary amides

Murugesan, Kathiravan,Senthamarai, Thirusangumurugan,Sohail, Manzar,Sharif, Muhammad,Kalevaru, Narayana V.,Jagadeesh, Rajenahally V.

supporting information, p. 266 - 273 (2018/01/12)

The sustainable introduction of nitrogen moieties in the form of nitrile or amide groups in functionalized molecules is of fundamental interest because nitrogen-containing motifs are found in a large number of life science molecules, natural products and materials. Hence, the synthesis and functionalization of nitriles and amides from easily available starting materials using cost-effective catalysts and green reagents is highly desired. In this regard, herein we report the nanoscale iron oxide-catalyzed environmentally benign synthesis of nitriles and primary amides from aldehydes and aqueous ammonia in the presence of 1 bar O2 or air. Under mild reaction conditions, this iron-catalyzed aerobic oxidation process proceeds to synthesise functionalized and structurally diverse aromatic, aliphatic and heterocyclic nitriles. Additionally, applying this iron-based protocol, primary amides have also been prepared in a water medium.

Cascade reaction of propargylic alcohols with hydroxylamine hydrochloride: facile synthesis of α,β-unsaturated oximes and nitriles

Zhang, Qi,Zhang, Linjing,Tang, Chaojun,Luo, Huan,Cai, Xuediao,Chai, Yonghai

supporting information, p. 6935 - 6942 (2016/10/14)

We have developed an easy and practical method for the synthesis of α,β-unsaturated oximes and nitriles from readily available propargylic alcohols with hydroxylamine hydrochloride (NH2OH·HCl) under metal-free conditions. By using or not using p-toluenesulfonyl chloride (p-TsCl) as the dehydrating promoter, the desired nitriles or oximes could be obtained, respectively via a three-step one-pot or two-step one-pot process in moderate to excellent yields with good functional group compatibility.

Direct Synthesis of Nitriles from Aldehydes Using an O-Benzoyl Hydroxylamine (BHA) as the Nitrogen Source

An, Xiao-De,Yu, Shouyun

, p. 5064 - 5067 (2015/11/03)

The direct synthesis of nitriles from commercially available or easily prepared aldehydes has been achieved. O-(4-CF3-benzoyl)-hydroxylamine (CF3-BHA) was utilized as the nitrogen source to generate O-acyl oximes in situ with aldehydes, which can be converted to a nitrile with the assistance of a Bronsted acid. Several aliphatic, aromatic, and α,β-unsaturated nitriles that contain different functional groups were prepared in high yields (up to 94% yield). This method has notable advantages, such as simple and mild conditions, high yields, and good functional group tolerance.

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