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2-(azepan-1-yl)-N-(benzylideneamino)acetamide is a complex organic compound with the molecular formula C16H20N4O2. It features a benzylidene group (a benzene ring with a double bond to a carbonyl group) connected to an acetamide group, which is in turn linked to an azepan-1-yl moiety (a seven-membered cyclic amine). 2-(azepan-1-yl)-N-(benzylideneamino)acetamide is characterized by its unique structure, which includes a cyclic amine group that can potentially form hydrogen bonds and interact with other molecules in biological systems. It is a white crystalline solid and is typically synthesized through a series of chemical reactions involving amines and carboxylic acids. Due to its specific structure, it may have potential applications in the field of medicinal chemistry, particularly in the development of new drugs targeting specific receptors or enzymes. However, further research and testing would be required to determine its exact properties and potential uses.

5285-76-7

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5285-76-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5285-76-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,2,8 and 5 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5285-76:
(6*5)+(5*2)+(4*8)+(3*5)+(2*7)+(1*6)=107
107 % 10 = 7
So 5285-76-7 is a valid CAS Registry Number.

5285-76-7SDS

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 4-Thiocyanoveratrole

1.2 Other means of identification

Product number -
Other names -

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:5285-76-7 SDS

5285-76-7Downstream Products

5285-76-7Relevant academic research and scientific papers

Eco-Friendly Methodology for the Formation of Aromatic Carbon–Heteroatom Bonds by Using Green Ionic Liquids

Richards, Kenza,Petit, Eddy,Legrand, Yves-Marie,Grison, Claude

supporting information, p. 809 - 814 (2020/11/30)

A new sustainable method is reported for the formation of aromatic carbon–heteroatom bonds under solvent-free and mild conditions (no co-oxidant, no strong acid and no toxic reagents) by using a new type of green ionic liquid. The bromination of methoxy arenes was chosen as a model reaction. The reaction methodology is based on only using natural sodium bromine, which is transformed into an electrophilic brominating reagent within an ionic liquid, easily prepared from the melted salt FeCl3 hexahydrate. Bromination reactions with this in-situ-generated reagent gave good yields and excellent regioselectivity under simple and environmentally friendly conditions. To understand the unusual bromine polarity reversal of sodium bromine without any strong oxidant, the molecular structure of the reaction medium was characterised by Raman and direct infusion electrospray ionisation mass spectroscopy (ESI-MS). An extensive computational investigation using density functional theory methods was performed to describe a mechanism that suggests indirect oxidation of Br? through new iron adducts. The versatility of the methodology was successively applied to nitration and thiocyanation of methoxy arenes using KNO3 and KSCN in melted hexahydrated FeCl3.

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.

Direct Photocatalytic S-H Bond Cyanation with Green cN Source

Guo, Wei,Tan, Wen,Zhao, Mingming,Zheng, Lvyin,Tao, Kailiang,Chen, Deliang,Fan, Xiaolin

supporting information, p. 6580 - 6588 (2018/05/29)

Herein we report a novel C-S bond cleavage and reconstruction strategy for the synthesis of thiocyanates through direct photocatalytic S-H bond cyanation from thiols and inorganic thiocyanate salts. In our strategy, the unprecedented example of cutting off C-S bond of SCN- to deliver the green CN sources is demonstrated. This transformation features nontoxic and inexpensive CN sources, available starting materials, metal-/base-/ligand-/peroxide-free, high step economy and mild conditions. It leads to the construction of various thiocyanates and some medicinally and biologically active thiocyanate-containing molecules.

Preparation method for thiocyanide compound

-

Paragraph 0146; 0147; 0152; 0153, (2018/06/16)

The invention discloses a preparation method for a thiocyanide compound. The preparation method comprises the following steps: taking a sulfhydryl compound, thiocyanate as raw materials, taking rose-bengal, eosine Y or eosin B as a catalyst, performing illumination, generating a thiocyanide compound after the illumination reaction. According to the preparation method provided by the invention, thiocyanide is decomposed into thiocyanate ions; the sulfhydryl compound generates sulfhydryl radical under the action of light and the catalyst, and the sulfhydryl radical is used for attacking carbon atoms in thiocyanate ions to obtain a intermediate; sulfide is removed from the intermediate to obtain the thiocyanide compound. The rose-bengal, the eosine Y or the eosin B used by the method containno heavy metal ion, and the adverse effect on the performance of the thiocyanide compound by the heavy metal ion residue is avoided; in addition, the catalyst is easily removed, so that a favorable condition is provided for the preparation of the thiocyanide compound with higher purity.

Anodic thiocyanation of mono-and disubstituted aromatic compounds

Gitkis, Anna,Becker, James Y.

experimental part, p. 5854 - 5859 (2011/01/07)

The in situ and environmentally friendly thiocyanation (no use of toxic oxidizing agents) electrochemical thiocyanation of aromatic compounds involving various derivatives of anisole and aniline to afford aromatic thiocyanates have been studied in organic

Efficient and mild oxidative nuclear thiocyanation of activated aromatic compounds using ammonium thiocyanate and diacetoxyiodobenzene

Karade,Tiwari,Shirodkar,Dhoot

, p. 1197 - 1201 (2007/10/03)

A mild and general method for the nuclear thiocyanation of electron rich arenes has been developed by the reaction of NH4SCN with diacetoxyiodobenzene as the oxidant. Copyright Taylor & Francis, Inc.

1-Cyanoimidazole as a mild and efficient electrophilic cyanating agent

Wu, Yong-Qian,Limburg, David C.,Wilkinson, Douglas E.,Hamilton, Gregory S.

, p. 795 - 797 (2007/10/03)

formula presented A mild and high-yielding cyanating reaction of amine, sulfur, and carbanion nucleophiles is reported here using 1-cyanoimidazole as an electrophilic cyanating agent.

Novel and Direct Nucleophilic Sulfenylation and Thiocyanation of Phenol Ethers Using a Hypervalent Iodine(III) Reagent

Kita, Yasuyuki,Takada, Takeshi,Mihara, Sachiko,Whelan, Brendan A.,Tohma, Hirofumi

, p. 7144 - 7148 (2007/10/03)

Novel and direct nucleophilic sulfenylation and thiocyanation of phenol ethers and related compounds (1) with the hypervalent iodine reagent, phenyliodine(III) bis(trifluoroacetate) (PIFA) have been developed.The reaction proceeded smoothly in 1,1,1,3,3,3

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