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3-PIPERIDIN-1-YLBENZONITRILE is a chemical compound characterized by the presence of a piperidine ring and a benzene ring connected through a nitrile group. It is recognized for its potential medicinal properties and is utilized as a fundamental building block in the synthesis of a variety of pharmaceuticals and organic compounds. This versatile and significant chemical is highly regarded in the fields of organic chemistry and drug discovery.

175696-74-9

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175696-74-9 Usage

Uses

Used in Pharmaceutical Industry:
3-PIPERIDIN-1-YLBENZONITRILE is used as a key intermediate in the synthesis of new drugs, contributing to the development of medications for the treatment of various medical conditions. Its unique structure allows it to be a valuable component in the creation of innovative pharmaceutical formulations.
Used in Agricultural Chemicals Production:
3-PIPERIDIN-1-YLBENZONITRILE serves as an intermediate in the production of agricultural chemicals, playing a crucial role in the synthesis of compounds that are vital for crop protection and enhancement of agricultural yields.
Used in Fragrance Industry:
In the fragrance industry, 3-PIPERIDIN-1-YLBENZONITRILE is utilized as an intermediate for creating complex and unique scents. Its chemical properties enable the development of novel fragrances that can be used in a wide range of consumer products.
Used in Organic Chemistry Research:
3-PIPERIDIN-1-YLBENZONITRILE is also used as a research compound in organic chemistry, where it aids scientists in understanding the properties and reactions of related compounds, thus advancing the field of chemical research and development.

Check Digit Verification of cas no

The CAS Registry Mumber 175696-74-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,5,6,9 and 6 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 175696-74:
(8*1)+(7*7)+(6*5)+(5*6)+(4*9)+(3*6)+(2*7)+(1*4)=189
189 % 10 = 9
So 175696-74-9 is a valid CAS Registry Number.
InChI:InChI=1/C12H14N2/c13-10-11-5-4-6-12(9-11)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2

175696-74-9SDS

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 3-PIPERIDIN-1-YLBENZONITRILE

1.2 Other means of identification

Product number -
Other names 3-piperidinobenzonitrile

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:175696-74-9 SDS

175696-74-9Relevant academic research and scientific papers

Spectroscopic Studies of the Chan-Lam Amination: A Mechanism-Inspired Solution to Boronic Ester Reactivity

Vantourout, Julien C.,Miras, Haralampos N.,Isidro-Llobet, Albert,Sproules, Stephen,Watson, Allan J. B.

supporting information, p. 4769 - 4779 (2017/04/11)

We report an investigation of the Chan-Lam amination reaction. A combination of spectroscopy, computational modeling, and crystallography has identified the structures of key intermediates and allowed a complete mechanistic description to be presented, including off-cycle inhibitory processes, the source of amine and organoboron reactivity issues, and the origin of competing oxidation/protodeboronation side reactions. Identification of key mechanistic events has allowed the development of a simple solution to these issues: manipulating Cu(I) → Cu(II) oxidation and exploiting three synergistic roles of boric acid has allowed the development of a general catalytic Chan-Lam amination, overcoming long-standing and unsolved amine and organoboron limitations of this valuable transformation.

A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters

Nikiforov, Petar O.,Surade, Sachin,Blaszczyk, Michal,Delorme, Vincent,Brodin, Priscille,Baulard, Alain R.,Blundell, Tom L.,Abell, Chris

supporting information, p. 2318 - 2326 (2016/03/01)

With the ever-increasing instances of resistance to frontline TB drugs there is the need to develop novel strategies to fight the worldwide TB epidemic. Boosting the effect of the existing second-line antibiotic ethionamide by inhibiting the mycobacterial

Chan-Evans-Lam Amination of Boronic Acid Pinacol (BPin) Esters: Overcoming the Aryl Amine Problem

Vantourout, Julien C.,Law, Robert P.,Isidro-Llobet, Albert,Atkinson, Stephen J.,Watson, Allan J. B.

, p. 3942 - 3950 (2016/05/24)

The Chan-Evans-Lam reaction is a valuable C-N bond forming process. However, aryl boronic acid pinacol (BPin) ester reagents can be difficult coupling partners that often deliver low yields, in particular in reactions with aryl amines. Herein, we report effective reaction conditions for the Chan-Evans-Lam amination of aryl BPin with alkyl and aryl amines. A mixed MeCN/EtOH solvent system was found to enable effective C-N bond formation using aryl amines while EtOH is not required for the coupling of alkyl amines.

Transition-metal-free electrophilic amination between aryl grignard reagents and N-chloroamines

Hatakeyama, Takuji,Yoshimoto, Yuya,Ghorai, Sujit K.,Nakamura, Masaharu

supporting information; experimental part, p. 1516 - 1519 (2010/06/20)

In the presence of N,N,N′,N′-tetramethylethylenediamine (TMEDA) as an additive, easily prepared and handled N-chloroamines react with aryl Grignard reagents to give a variety of arylamines in good to excellent yields. Functional groups such as ester and nitrile are compatible under the reaction conditions (Figure Presented).

PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA

-

Page/Page column 24, (2008/06/13)

Disclosed are novel compounds of formula (I) wherein R1, R2, R3 , R4 and A are as defined herein, which are useful as inhibitors of PKC-theta and are thus useful for treating a variety of diseases and disorders

Pyrimidine derivatives useful as inhibitors of PKC-theta

-

Page/Page column 131, (2008/06/13)

Disclosed are novel compounds of formula (I): wherein X, Y, R1, R2 and R3 are as defined herein, which are useful as inhibitors of PKC-theta and are thus useful for treating a variety of diseases and disorders that are mediated or sustained through the activity of PKC-theta, including immunological disorders and type II diabetes. This invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses

-

Page/Page column 34, (2010/10/20)

This invention relates to poly-substituted derivatives of the N-(benzyl)phenylacetamide type, pharmaceutical compositions comprising same, therapeutic uses thereof, more particularly in the fields of human and animal health. This invention also relates to a process for the preparation of such derivatives.

BEZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES

-

, (2008/06/13)

The invention concerns the use of amide derivatives of formula (I) wherein: R1 and R2 are substituents such as hydroxy, C1-6alkoxy, mercapto, C1-6alkylthio, amino, C1-6alkylamino and di-(C1-6alkyl)amino; m and p are independently 0-3; R3 is C1-4alkyl; q is 0-4; and R4 is aryl or cycloalkyl; or a pharmaceutically acceptable salt thereof in the manufacture of a medicament for use in the treatment of diseases or medical conditions mediated by cytokines

Method of inhibiting neoplastic cells with imidazoquinazoline derivatives

-

, (2008/06/13)

A method for inhibiting neoplasia, particularly cancerous and precancerous lesions by exposing the affected cells to imidazoquinazoline derivatives.

Improved yields of meta-amination and symmetrical and unsymmetrical diamination of benzenes

Brown, George R.,Foubister, Alan J.,Roberts, Craig A.,Wells, Stuart L.,Wood, Robin

, p. 3917 - 3919 (2007/10/03)

Much higher yields were found after shorter reaction times for the meta-substituted amination of benzenes in DMPU with microwave heating in a sealed tube (180°C, 5 h), e.g. piperidine and m-fluorobenzonitrile 1 gave the m-substituted 3 in 92% yield. These

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