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(4-Cyanophenyl)methanesulfonyl chloride, also known as 4-Cyanobenzenesulfonyl chloride, is a highly reactive and versatile chemical compound with a wide range of applications in organic synthesis. It is known for its ability to form stable bonds with various functional groups, making it an important building block in the production of pharmaceuticals, agrochemicals, dyes, fluorescent probes, and other specialty chemicals. However, it is a hazardous substance that requires careful handling to avoid skin, eye, and respiratory irritation.

56105-99-8

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56105-99-8 Usage

Uses

Used in Pharmaceutical Industry:
(4-Cyanophenyl)methanesulfonyl chloride is used as a reagent in the synthesis of sulfonamides and sulfonylureas, which are important classes of pharmaceuticals with various therapeutic applications.
Used in Agrochemical Industry:
(4-CYANOPHENYL)METHANESULFONYL CHLORIDE is utilized in the production of agrochemicals, contributing to the development of effective pesticides and other agricultural chemicals.
Used in Dye and Fluorescent Probe Synthesis:
(4-Cyanophenyl)methanesulfonyl chloride is employed as a key intermediate in the synthesis of dyes and fluorescent probes, which are used in various analytical and diagnostic applications.
Used in Specialty Chemicals Production:
It serves as a building block in the creation of specialty chemicals, which have unique properties and are used in specific industries such as materials science, electronics, and biotechnology.

Check Digit Verification of cas no

The CAS Registry Mumber 56105-99-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,6,1,0 and 5 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 56105-99:
(7*5)+(6*6)+(5*1)+(4*0)+(3*5)+(2*9)+(1*9)=118
118 % 10 = 8
So 56105-99-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H6ClNO2S/c9-13(11,12)6-8-3-1-7(5-10)2-4-8/h1-4H,6H2

56105-99-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-Cyanophenyl)methanesulfonyl chloride

1.2 Other means of identification

Product number -
Other names (4-CYANOPHENYL)METHANESULFONYL CHLORIDE

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:56105-99-8 SDS

56105-99-8Relevant academic research and scientific papers

Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable RORγInverse Agonist for Treatment of Castration-Resistant Prostate Cancer

Zhang, Yan,Wu, Xishan,Xue, Xiaoqian,Li, Chenchang,Wang, Junjian,Wang, Rui,Zhang, Cheng,Wang, Chao,Shi, Yudan,Zou, Lingjiao,Li, Qiu,Huang, Zenghong,Hao, Xiaojuan,Loomes, Kerry,Wu, Donghai,Chen, Hong-Wu,Xu, Jinxin,Xu, Yong

, p. 4716 - 4730 (2019/05/08)

We report the design, optimization, and biological evaluation of nuclear receptor RORγinverse agonists as therapeutic agents for prostate cancer treatment. The most potent compound 27 (designated as XY101) exhibited cellular activity with an IC50/su

Optimization of P2Y12 Antagonist Ethyl 6-(4-((Benzylsulfonyl)carbamoyl)piperidin-1-yl)-5-cyano-2-methylnicotinate (AZD1283) Led to the Discovery of an Oral Antiplatelet Agent with Improved Druglike Properties

Kong, Deyu,Xue, Tao,Guo, Bin,Cheng, Jianjun,Liu, Shunyin,Wei, Jianhai,Lu, Zhengyu,Liu, Haoran,Gong, Guoqing,Lan, Tian,Hu, Wenhao,Yang, Yushe

supporting information, p. 3088 - 3106 (2019/04/01)

P2Y12 antagonists are widely used as antiplatelet agents for the prevention and treatment of arterial thrombosis. Based on the scaffold of a known P2Y12 antagonist AZD1283, a series of novel bicyclic pyridine derivatives were designed and synthesized. The cyclization of the ester substituent on the pyridine ring to the ortho-methyl group led to lactone analogues of AZD1283 that showed significantly enhanced metabolic stability in subsequent structure-pharmacokinetic relationship studies. The metabolic stability was further enhanced by adding a 4-methyl substituent to the piperidinyl moiety. Compound 58l displayed potent inhibition of platelet aggregation in vitro as well as antithrombotic efficacy in a rat ferric chloride model. Moreover, 58l showed a safety profile that was superior to what was observed for clopidogrel in a rat tail-bleeding model. These results support the further evaluation of compound 58l as a promising drug candidate.

COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT AND PDFGR

-

, (2017/02/24)

Compounds and compositions useful for treating disorders related to KIT and PDGFR are described herein.

Tert -Butyl Hypochlorite Mediated Oxidative Chlorination of S -Alkylisothiourea Salts: Synthesis of Sulfonyl Chlorides

Qiu, Kui,Wang, Rennan

, p. 3186 - 3190 (2015/10/19)

Under neutral conditions, a variety of S-alkylisothiourea salts were smoothly converted into the corresponding sulfonyl chlorides through tert-butyl chlorite mediated oxidative chlorination in good to excellent yields after simple purification. In addition to the environmental and procedural advantages of this method, the neutral conditions potentially make it applicable to substrates that bear acid-sensitive functional groups. For example, the Cbz-protected 2-aminoethanesulfonyl chloride could be synthesized in moderate to good yields under the current neutral conditions, and the acid-sensitive Cbz-protecting group was not affected.

Clean and economic synthesis of alkanesulfonyl chlorides from S-alkyl isothiourea salts via bleach oxidative chlorosulfonation

Yang, Zhanhui,Zhou, Bingnan,Xu, Jiaxi

, p. 225 - 229 (2014/03/21)

A simple procedure for clean and economic synthesis of alkanesulfonyl chlorides via bleach-mediated oxidative chlorosulfonation of S-alkyl isothiourea salts is disclosed. This procedure is environment- and worker-friendly with the advantages of readily accessible materials and reagents, simple and safe operations, easy purification without chromatography, and affords high yields of up to 99%.

Convenient and environment-friendly synthesis of sulfonyl chlorides from S -alkylisothiourea salts via N-chlorosuccinimide chlorosulfonation

Yang, Zhanhui,Xu, Jiaxi

, p. 1675 - 1682 (2013/07/27)

A convenient, practical, and environmentally friendly method for the synthesis of sulfonyl chlorides has been developed. Structurally diverse sulfonyl chlorides were synthesized in moderate to excellent yields from S-alkylisothiourea salts, which can be easily prepared from readily accessible alkyl halides or mesylates and inexpensive thiourea, via N-chlorosuccinimide chlorosulfonation. In large-scale syntheses, the byproduct succinimide from 'waste water' can be conveniently converted into the starting reagent N-chlorosuccinimide with sodium hypochlorite (bleach) to make the method sustainable. Georg Thieme Verlag Stuttgart, New York.

Simple synthesis of sulfonyl chlorides from thiol precursors and derivatives by NaClO2-mediated oxidative chlorosulfonation

Yang, Zhanhui,Zheng, Yongpeng,Xu, Jiaxi

supporting information, p. 2165 - 2169 (2013/10/22)

A simple method to synthesize diverse sulfonyl chlorides through NaClO 2-mediated oxidative chlorosulfonation of S-alkyl isothiourea salts is presented. The approach features safe operation, environmental friendliness, convenient purification procedures, and delivers high yields of up to 96%. The procedure is also applicable to substrates such as thiols, disulfides, thioacetates, and xanthates. It is a versatile and convenient method for the synthesis of various sulfonyl chlorides from different thiol precursors and derivatives. Georg Thieme Verlag Stuttgart, New York.

Access to a wide range of sultams by cyclodialkylation of α-substituted methanesulfonanilides

Rassadin, Valentin A.,Grosheva, Daria S.,Arefeva, Irina A.,Tomashevskiy, Aleksandr A.,Sokolov, Victor V.,De Meijere, Armin

, p. 5028 - 5037,10 (2020/08/24)

A wide range of five- and six-membered sultams bearing an α-ethoxycarbonyl-α-methyl substituent or an α-aryl group (17 examples) were synthesized by the cyclodialkylation of α-substituted methanesulfonanilides with α,ω-dihaloalkanes in the presence of K2CO3 or under phase-transfer catalysis (PTC) conditions. Upon treatment with K2CO3 in N,N-dimethylformamide (DMF) or NaH in dimethyl sulfoxide (DMSO), N-(2,3-dibromopropyl)-α- toluenesulfonanilides furnished different 1,3-diaryl-2-thia-3-azabicyclo[3.1.0] hexane 2,2-dioxides in good to excellent yields (51-88 %, 16 examples). The 4-methoxyphenyl (PMP) group was easily removed from the sultam nitrogen atom by treatment of the corresponding bicyclic sultams with cerium(IV) ammonium nitrate in acetonitrile (71-84 % yield, 6 examples). The intermolecular cyclodialkylation of α-substituted methanesulfonamides constitutes a simple and efficient route to five- and six-membered sultams with α-ethoxycarbonyl-α-methyl or α-aryl substitution. The intramolecular cyclodialkylation of N-(2,3-dibromopropyl)-α- toluenesulfanilides readily leads to bicyclic sultams bearing a cyclopropane ring. Copyright

Indole cytosolic phospholipase A2 α inhibitors: Discovery and in vitro and in vivo characterization of 4-{3-[5-chloro-2-(2-{[(3,4- dichlorobenzyl)sulfonyl]amino}ethyl)-1-(diphenylmethyl)-1H-indol-3-yl]propyl} benzoic acid, efipladib

McKew, John C.,Lee, Katherine L.,Shen, Marina W. H.,Thakker, Paresh,Foley, Megan A.,Behnke, Mark L.,Hu, Baihua,Sum, Fuk-Wah,Tam, Steve,Hu, Yonghan,Chen, Lihren,Kirincich, Steven J.,Michalak, Ronald,Thomason, Jennifer,Ipek, Manus,Wu, Kun,Wooder, Lane,Ramarao, Manjunath K.,Murphy, Elizabeth A.,Goodwin, Debra G.,Albert, Leo,Xu, Xin,Donahue, Frances,Ku, M. Sherry,Keith, James,Nickerson-Nutter, Cheryl L.,Abraham, William M.,Williams, Cara,Hegen, Martin,Clark, James D.

experimental part, p. 3388 - 3413 (2009/05/26)

The optimization of a class of indole cPLA2α inhibitors is described herein. The importance of the substituent at C3 and the substitution pattern of the phenylmethane sulfonamide region are highlighted. Optimization of these regions led to the

NEW PYRIDINE ANALOGUES

-

Page/Page column 150, (2008/06/13)

The present invention relates to certain new pyridin analogues of Formula (I) Chemical formula should be inserted here. Please see paper copy Formula (I) to processes for preparing such compounds, to their utility as P2Y12 inhibitors and as anti-trombotic agents etc, their use as medicaments in cardiovascular diseases as well as pharmaceutical compositions containing them.

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