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4-Chlorophenyl 4-methylbenzenesulfonate is an organic compound with the chemical formula C13H11ClO3S. It is a derivative of benzenesulfonic acid, featuring a 4-chlorophenyl group attached to the sulfur atom and a 4-methylbenzene (toluene) group attached to the benzene ring. 4-chlorophenyl 4-methylbenzenesulfonate is a white crystalline solid and is soluble in organic solvents. It is primarily used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and dyes. Due to its reactivity and potential applications, it is important to handle 4-chlorophenyl 4-methylbenzenesulfonate with care, as it may have adverse effects on the environment and human health if not properly managed.

599-89-3

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599-89-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 599-89-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,9 and 9 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 599-89:
(5*5)+(4*9)+(3*9)+(2*8)+(1*9)=113
113 % 10 = 3
So 599-89-3 is a valid CAS Registry Number.
InChI:InChI=1/C13H11ClO3S/c1-10-2-8-13(9-3-10)18(15,16)17-12-6-4-11(14)5-7-12/h2-9H,1H3

599-89-3Relevant academic research and scientific papers

Electrochemical cross-coupling reactions of sodium arenesulfinates with thiophenols and phenols

Ma, Jinfeng,Xu, Pan,Zhong, Zijian,Zhou, Aihua

supporting information, (2021/10/26)

A green electrochemical oxidative cross-coupling protocol for the generation of thiosulfonates and sulfonate esters using sodium arenesulfinates and thiophenols/phenols is disclosed. The protocol involves using inorganic and non-toxic NaI as both redox catalyst and supporting electrolyte at room temperature without oxidant and base. The reactions provide good yields of products and tolerate broad substrate scope. The mechanistic studies revealed that the reactions proceed via a radical pathway for the formation of SO2–S and SO2–O bonds.

Small Phosphine Ligands Enable Selective Oxidative Addition of Ar-O over Ar-Cl Bonds at Nickel(0)

Entz, Emily D.,Hooker, Leidy V.,Neufeldt, Sharon R.,Russell, John E. A.

supporting information, p. 15454 - 15463 (2020/10/18)

Current methods for Suzuki-Miyaura couplings of nontriflate phenol derivatives are limited by their intolerance of halides including aryl chlorides. This is because Ni(0) and Pd(0) often undergo oxidative addition of organohalides at a similar or faster rate than most Ar-O bonds. DFT and stoichiometric oxidative addition studies demonstrate that small phosphines, in particular PMe3, are unique in promoting preferential reaction of Ni(0) with aryl tosylates and other C-O bonds in the presence of aryl chlorides. This selectivity was exploited in the first Ni-catalyzed C-O-selective Suzuki-Miyaura coupling of chlorinated phenol derivatives where the oxygen-containing leaving group is not a fluorinated sulfonate such as triflate. Computational studies suggest that the origin of divergent selectivity between PMe3 and other phosphines differs from prior examples of ligand-controlled chemodivergent cross-couplings. PMe3 effects selective reaction at tosylate due to both electronic and steric factors. A close interaction between nickel and a sulfonyl oxygen of tosylate during oxidative addition is critical to the observed selectivity.

The Synthesis and Catalytic Activity of New Mixed NHC-Phosphite Nickel(0) Complexes

Dorta, Reto,Duczynski, Jeremy,Moggach, Stephen A.,Sobolev, Alexandre N.,Stewart, Scott G.

supporting information, (2020/01/21)

Herein we describe the synthesis and isolation of the first low-valent NHC-phosphite nickel complexes of general formula Ni(NHC)[P(OAr)3]2. These three-coordinate Ni(0) compounds were fully characterized, including by X-ray crystallography that highlighted their trigonal planar geometry. The representative complex Ni(IMes)[P(OPh)3]2 was used to show that a phosphite ligand is readily substituted in the presence of an aldehyde or nitrile. These stoichiometric studies then led to an investigation of their catalytic properties in the Suzuki-Miyaura cross-coupling reactions between aryl tosylates and aryl boronic acids, a first for such a NHC-Ni catalyst. Finally, mechanistic investigations led to the isolation of a well-defined oxidative addition product.

Electron Donor-Acceptor Complex Enabled Decarboxylative Sulfonylation of Cinnamic Acids under Visible-Light Irradiation

Ge, Qian-Qian,Qian, Jia-Sheng,Xuan, Jun

, p. 8691 - 8701 (2019/08/30)

Visible-light-induced decarboxylative sulfonylation of cinnamic acids with aryl sulfonate phenol esters enabled by the electron donor-acceptor complex is developed. The method offers a mild and green approach for the synthesis of vinyl sulfones with excellent functional group compatibility under photocatalyst and oxidant-free conditions.

LiCl-Accelerated Nickel Catalyzed Cross-Coupling of Aryl Tosylates with the Aryl Grignard Reagents

He, Xiao-Yun,Zhang, Zhi-Xun,Li, Chun-Jing,Li, Yan

, p. 2591 - 2596 (2020/02/25)

A mild coupling reaction catalyzed by Ni(acac)2-L4 has been studied. The catalyst acts efficiently in the reaction of biaryl coupling between various electrophiles and common or functionalized aryl Grignard reagents with high functional group tolerance. The study demonstrates that LiCl acts as an essential component in efficient cross-coupling by accelerating reduction of Ni(II) to Ni(0). The new catalytic system for selective couplings of aryl tosylates with aryl chlorides has been developed.

Ionic liquid brush as an efficient and reusable heterogeneous catalytic assembly for the tosylation of phenols and alcohols in neat water

Feng, Simin,Li, Jing,Wei, Junfa

supporting information, p. 4743 - 4746 (2017/07/12)

A very efficient and reusable heterogeneous ionic liquid brush assembly was developed. The catalyst exhibits high catalytic activity for the tosylation of phenols and alcohols in neat water. Moreover, the catalyst shows outstanding stability and reusability, and it can be simply and effectively recovered and reused five times without noticeable loss of catalytic activity.

Copper-Catalyzed Regioselective C-H Sulfonyloxylation of Electron-Rich Arenes with p-Toluenesulfonic Acid and Sulfonyloxylation of Aryl(mesityl)iodonium Sulfonates

Huang, He,Wu, Yang,Zhang, Wen,Feng, Chun,Wang, Bi-Qin,Cai, Wan-Fei,Hu, Ping,Zhao, Ke-Qing,Xiang, Shi-Kai

, p. 3094 - 3101 (2017/03/23)

Copper-catalyzed regioselective C-H sulfonyloxylation of electron-rich arenes with p-toluenesulfonic acid has been developed. Electron-rich benzene derivatives and heteroarenes can undergo this C-H sulfonyloxylation reaction to generate aryl tosylates. Furthermore, sulfonyloxylation of aryl(mesityl)iodonium sulfonates has also been investigated. Both aryl(mesityl)iodonium tosylates and triflates can react smoothly to get aryl sulfonates. The formed aryl sulfonates can be converted to phenols, as well as used as good partners of cross-coupling reactions.

Gold(I)-Catalyzed N-Desulfonylative Amination versus N-to-O 1,5-Sulfonyl Migration: A Versatile Approach to 1-Azabicycloalkanes

Miaskiewicz, Solène,Gaillard, Boris,Kern, Nicolas,Weibel, Jean-Marc,Pale, Patrick,Blanc, Aurélien

supporting information, p. 9088 - 9092 (2016/07/26)

Valuable 1-azabicycloalkane derivatives have been synthesized through a novel gold(I)-catalyzed desulfonylative cyclization strategy. An ammoniumation reaction of ynones substituted at the 1-position with an N-sulfonyl azacycle took place in the presence of a gold cation by intramolecular cyclization of the disubstituted sulfonamide moiety onto the triple bond. Depending on the size of the heterocyclic ring and substitution of the substrates, two unprecedented forms of nucleophilic attack on the sulfonyl group were exploited, that is, a N-desulfonylation in the presence of an external protic O nucleophile (37–87 %, 10 examples) and a unique N-to-O 1,5-sulfonyl migration (60–98 %, 9 examples).

Chromatography-Free and Eco-Friendly Synthesis of Aryl Tosylates and Mesylates

Lei, Xiangyang,Jalla, Anusha,Abou Shama, Mhd A.,Stafford, Jamie M.,Cao, Billy

supporting information, p. 2578 - 2585 (2015/09/01)

Two chromatography-free and eco-friendly protocols have been developed to synthesize aryl tosylates and mesylates by the tosylation and mesylation of the corresponding hydroxyarenes, respectively. These protocols are superior to other known ones regarding

Iodine-induced synthesis of sulfonate esters from sodium sulfinates and phenols under mild conditions

Gao, Jian,Pan, Xiaojun,Liu, Juan,Lai, Junyi,Chang, Liming,Yuan, Gaoqing

, p. 27439 - 27442 (2015/03/31)

An iodine-induced synthesis of sulfonate esters via cross-coupling reactions of sodium sulfinates with phenols is reported. This synthetic route is low-cost, facile, green and efficient, and could afford the target products with good to excellent yields u

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