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2-(1H-PYRAZOL-1-YL)BENZONITRILE, with the molecular formula C11H7N3, is a pyrazole derivative featuring a pyrazole ring and a benzonitrile group. This chemical compound holds potential in various fields, including organic synthesis, medicinal chemistry, and material science.

25775-03-5

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25775-03-5 Usage

Uses

Used in Organic Synthesis:
2-(1H-PYRAZOL-1-YL)BENZONITRILE is used as a building block for the synthesis of various organic compounds, contributing to the development of new chemical entities.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 2-(1H-PYRAZOL-1-YL)BENZONITRILE is utilized as a component in the creation of pharmaceuticals, potentially leading to the discovery of novel drugs.
Used in Material Science:
2-(1H-PYRAZOL-1-YL)BENZONITRILE is employed in material science for the development of new materials, taking advantage of its unique structural properties.
Used in Biological Research:
2-(1H-PYRAZOL-1-YL)BENZONITRILE may exhibit biological activity, making it a candidate for further investigation as a drug or a chemical probe in biological research, which could lead to advancements in understanding biological processes and the treatment of diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 25775-03-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,5,7,7 and 5 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 25775-03:
(7*2)+(6*5)+(5*7)+(4*7)+(3*5)+(2*0)+(1*3)=125
125 % 10 = 5
So 25775-03-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H7N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H

25775-03-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-pyrazol-1-ylbenzonitrile

1.2 Other means of identification

Product number -
Other names 2-pyrazolylbenzenecarbonitrile

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:25775-03-5 SDS

25775-03-5Relevant academic research and scientific papers

Design of an Electron-Withdrawing Benzonitrile Ligand for Ni-Catalyzed Cross-Coupling Involving Tertiary Nucleophiles

Edjoc, Racquel K.,Mills, L. Reginald,Rousseaux, Sophie A. L.

, p. 10422 - 10428 (2021/07/26)

The design of new ligands for cross-coupling is essential for developing new catalytic reactions that access valuable products such as pharmaceuticals. In this report, we exploit the reactivity of nitrile-containing additives in Ni catalysis to design a benzonitrile-containing ligand for cross-coupling involving tertiary nucleophiles. Kinetic and Hammett studies are used to elucidate the role of the optimized ligand, which demonstrate that the benzonitrile moiety acts as an electron-acceptor to promote reductive elimination over β-hydride elimination and stabilize low-valent Ni. With these conditions, a protocol for decyanation-metalation and Ni-catalyzed arylation is conducted, enabling access to quaternary α-arylnitriles from disubstituted malononitriles.

PYRAZOLYL COMPOUNDS AND METHODS OF USE THEREOF

-

Paragraph 0312-0317, (2020/05/14)

Compounds having activity as chemotherapeutic agents are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, stereoisomer, isotopic form or prodrug thereof, wherein R1a, R1b, R1c, R1d, L, and are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods for treating cancer (e.g., hematological cancers) are also provided.

Rh(III)-Catalyzed C-H Cyanation of 2 H-Indazole with N-Cyano- N-phenyl- p-toluenesulfonamide

Li, Jing,Shi, Linlin,Zhang, Shu-Ping,Wang, Xu-Yan,Zhu, Xinju,Hao, Xin-Qi,Song, Mao-Ping

, p. 10835 - 10845 (2020/09/18)

A Rh(III)-catalyzed direct cyanation of 2H-indazoles with N-cyano-N-phenyl-p-toluenesulfonamide has been realized via a chelation-assisted strategy. The methodology enables regioselective access to various ortho-cyanated phenylindazoles in good yields with a broad substrate scope and good functional group compatibility. The obtained cyanated indazoles could further be converted into other value-added chemicals. Importantly, the current protocol is featured with several characteristics, including a novel cyanating agent, good regioselectivity, and operational convenience.

Methyl-α-d-glucopyranoside as Green Ligand for Selective Copper-Catalyzed N-Arylation

Chen, Fengyang,Chen, Guoliang,Chen, Yuanguang,Du, Fangyu,Zhou, Qifan

, p. 4590 - 4600 (2019/12/11)

In the selective N-arylation of amines or azoles with aryl halidesa-, methyl-α-d-glucopyranoside (MG) was found to function as a green ligand of copper powder. In addition, nitrogen heterocyclic amine compounds can also undergo the N-arylation coupling with heterocyclic aryl chlorides. This process allows access to a variety of aromatic amines and aryl azoles under mild reaction conditions, has good tolerance, and proceeds in moderate to high yield.

Rhodium(iii)-catalyzed aromatic C-H cyanation with dimethylmalononitrile as a cyanating agent

Li, He,Zhang, Sheng,Yu, Xiaoqiang,Feng, Xiujuan,Yamamoto, Yoshinori,Bao, Ming

supporting information, p. 1209 - 1212 (2019/01/30)

A rhodium-catalyzed aromatic C-H bond direct cyanation with safe, bench-stable, and commercially available dimethylmalononitrile as the cyanating agent has been successfully developed by using copper oxide as a promotor. Pyridine, quinoline, pyrimidine and pyrazole were used as the directing group in this type of C-H bond direct cyanation reaction.

Cu(II)-catalyzed C-N coupling of (hetero)aryl halides and N-Nucleophiles promoted by α-benzoin oxime

Yuan, Chunling,Zhang, Lei,Zhao, Yingdai

, (2019/11/28)

We first reported the new application of a translate metal chelating ligand α-benzoin oxime for improving Cu-catalyzed C-N coupling reactions. The system could catalyse coupling reactions of (hetero)aryl halides with a wide of nucleophiles (e.g., azoles, piperidine, pyrrolidine and amino acids) in moderate to excellent yields. The protocol allows rapid access to the most common scaαolds found in FDA-approved pharmaceuticals.

L -(-) -Quebrachitol as a Ligand for Selective Copper(0)-Catalyzed N-Arylation of Nitrogen-Containing Heterocycles

Zhou, Qifan,Du, Fangyu,Chen, Yuanguang,Fu, Yang,Sun, Wenjiao,Wu, Ying,Chen, Guoliang

, p. 8160 - 8167 (2019/06/28)

l-(-)-Quebrachitol (QCT) has been found as a ligand of copper powder for selective N-arylation of nitrogen-containing heterocycles with aryl halides. Furthermore, another potential catalytic system (copper powder/QCT/t-BuOK) was successfully adapted to unactivated aryl chlorides.

α-d-Galacturonic Acid as Natural Ligand for Selective Copper-Catalyzed N-Arylation of N-Containing Heterocycles

Yuan, Chunling,Zhao, Yingdai,Zheng, Li

, p. 2173 - 2180 (2019/11/25)

The first application of α-d-galacturonic acid hydrate (GalA) is reported here, as a potential O-donor ligand. The C-N couplings of N-heterocycles with aryl halides or arylboronic acids could be readily conducted and exhibited good functional group tolerance with characters of selectivity. These N-Arylazoles allow rapid access to several pharmaceutical intermediates and can be easily transformed into a variety of other interesting scaffolds as well.

Rhodium-Catalyzed Direct C-H Bond Cyanation in Ionic Liquids

Lv, Songyang,Li, Yaling,Yao, Tian,Yu, Xinling,Zhang, Chen,Hai, Li,Wu, Yong

supporting information, p. 4994 - 4997 (2018/08/24)

A Cp?Rh(III)/IL-based direct C-H bond cyanation system was developed for the first time. The system is a mild, efficient, and recyclable method for the synthesis of aryl nitriles. Many different directing groups can be used in this cyanation, and the reaction tolerates a variety of functional groups.

α-Iminonitrile: A new cyanating agent for the palladium catalyzed C-H cyanation of arenes

Chen, Zhen-Bang,Zhang, Fang-Ling,Yuan, Qing,Chen, Hai-Fang,Zhu, Yong-Ming,Shen, Jing-Kang

, p. 64234 - 64238 (2016/07/23)

An efficient palladium-catalyzed C-H cyanation reaction of arenes using α-iminonitrile as a new cyanating reagent has been developed. With high regioselectivity and broad substrate scope, this reaction offers monocyanated products in moderate to excellent

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