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Benzene, 1,1'-sulfinylbis[3-methyl-, also known as 3,3'-dimethyl-1,1'-biphenyl sulfone or DMBPS, is an organic compound with the chemical formula C14H14O2S. It is a white crystalline solid that is soluble in organic solvents and has a melting point of 87-89°C. DMBPS is a derivative of biphenyl, featuring a sulfonyl group (-SO2-) connecting two 3-methylbiphenyl units. Benzene, 1,1'-sulfinylbis[3-methyl- is primarily used as a chemical intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. It is also known for its potential applications in materials science, such as in the production of high-performance polymers and as a precursor for the synthesis of other sulfone-containing compounds. The compound's properties, such as its stability and reactivity, make it a valuable building block in the chemical industry.

5097-06-3

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5097-06-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5097-06-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,0,9 and 7 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 5097-06:
(6*5)+(5*0)+(4*9)+(3*7)+(2*0)+(1*6)=93
93 % 10 = 3
So 5097-06-3 is a valid CAS Registry Number.

5097-06-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name di-m-tolyl sulfoxide

1.2 Other means of identification

Product number -
Other names m,m'-Ditolyl-sulfoxid

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:5097-06-3 SDS

5097-06-3Relevant academic research and scientific papers

Ni-Catalyzed Borylation of Aryl Sulfoxides

Huang, Mingming,Wu, Zhu,Krebs, Johannes,Friedrich, Alexandra,Luo, Xiaoling,Westcott, Stephen A.,Radius, Udo,Marder, Todd B.

supporting information, p. 8149 - 8158 (2021/05/10)

A nickel/N-heterocyclic carbene (NHC) catalytic system has been developed for the borylation of aryl sulfoxides with B2(neop)2 (neop=neopentyl glycolato). A wide range of aryl sulfoxides with different electronic and steric properties were converted into the corresponding arylboronic esters in good yields. The regioselective borylation of unsymmetric diaryl sulfoxides was also feasible leading to borylation of the sterically less encumbered aryl substituent. Competition experiments demonstrated that an electron-deficient aryl moiety reacts preferentially. The origin of the selectivity in the Ni-catalyzed borylation of electronically biased unsymmetrical diaryl sulfoxide lies in the oxidative addition step of the catalytic cycle, as oxidative addition of methoxyphenyl 4-(trifluoromethyl)phenyl sulfoxide to the Ni(0) complex occurs selectively to give the structurally characterized complex trans-[Ni(ICy)2(4-CF3-C6H4){(SO)-4-MeO-C6H4}] 4. For complex 5, the isomer trans-[Ni(ICy)2(C6H5)(OSC6H5)] 5-I was structurally characterized in which the phenyl sulfinyl ligand is bound via the oxygen atom to nickel. In solution, the complex trans-[Ni(ICy)2(C6H5)(OSC6H5)] 5-I is in equilibrium with the S-bonded isomer trans-[Ni(ICy)2(C6H5)(SOC6H5)] 5, as shown by NMR spectroscopy. DFT calculations reveal that these isomers are separated by a mere 0.3 kJ/mol (M06/def2-TZVP-level of theory) and connected via a transition state trans-[Ni(ICy)2(C6H5)(η2-{SO}-C6H5)], which lies only 10.8 kcal/mol above 5.

Synthesis and nano-Pd catalyzed chemoselective oxidation of symmetrical and unsymmetrical sulfides

Li, Xing,Du, Jia,Zhang, Yongli,Chang, Honghong,Gao, Wenchao,Wei, Wenlong

, p. 3048 - 3055 (2019/03/21)

A highly chemoselective, efficient and nano-Pd catalyzed protocol for the rapid construction of sulfoxides and sulfones via the oxidation of symmetrical and unsymmetrical sulfides using H2O2 as an oxidant has been developed, respectively. The ready availability of starting materials, easy recovery and reutilization of the catalyst, wide substrate scope, and high yields make this protocol an attractive alternative. The process also involves the metal-free and microwave-promoted synthesis of symmetrical diarylsulfides, and FeCl3-mediated preparation of symmetrical diaryldisulfides through the reaction of arenediazonium tetrafluoroborates with Na2S·9H2O as a sulfur source. In addition, unsymmetrical sulfides were generated via the K2CO3-mediated reaction of arenediazonium tetrafluoroborates with symmetrical disulfides.

Desulfurization of Diaryl(heteroaryl) Sulfoxides with Benzyne

Chen, De-Li,Sun, Yan,Chen, Mengyuan,Li, Xiaojin,Zhang, Lei,Huang, Xin,Bai, Yihui,Luo, Fang,Peng, Bo

supporting information, (2019/06/13)

Two benzyne-enabled desulfurization reactions have been demonstrated which convert diaryl sulfoxides and heteroaryl sulfoxides to biaryls and desulfurized heteroarenes, respectively. The reaction accessing biaryls tolerates a variety of functional groups, such as halides, pseudohalides, and carbonyls. Mechanistic studies reveal that both reactions proceed via a common assembly process but divergent disassemblies of the generated tetraaryl(heteroaryl) sulfuranes.

Palladium-catalyzed amination of aryl sulfoxides

Yoshida, Yuto,Otsuka, Shinya,Nogi, Keisuke,Yorimitsu, Hideki

supporting information, p. 1134 - 1137 (2018/02/23)

Amination of diaryl sulfoxides with anilines and alkylamines has been accomplished under palladium/N-heterocyclic carbene (NHC) catalysis. Owing to its electron deficiency, the leaving arenesulfenate anion would be smoothly released from the palladium center to result in uneventful catalyst turnover under milder reaction conditions in comparison with previous C-S bond amination reactions. This amination accommodated a wider range of functional groups such as silyl, boryl, methylsulfanyl, and halogen moieties. Regioselective amination of unsymmetrical diaryl sulfoxides was also executed by means of steric bias.

Palladium-Catalyzed Enantioselective C?H Olefination of Diaryl Sulfoxides through Parallel Kinetic Resolution and Desymmetrization

Zhu, Yu-Chao,Li, Yan,Zhang, Bo-Chao,Zhang, Feng-Xu,Yang, Yi-Nuo,Wang, Xi-Sheng

supporting information, p. 5129 - 5133 (2018/03/27)

The first example of PdII-catalyzed enantioselective C?H olefination with non-chiral or racemic sulfoxides as directing groups was developed. A variety of chiral diaryl sulfoxides were synthesized with high enantioselectivity (up to 99 %) throu

Enantioselective Synthesis of Chiral-at-Sulfur 1,2-Benzothiazines by CpxRhIII-Catalyzed C?H Functionalization of Sulfoximines

Sun, Yang,Cramer, Nicolai

supporting information, p. 15539 - 15543 (2018/11/02)

Sulfoximines with stereogenic sulfur atoms are attractive structural motifs in drug discovery. A direct catalytic enantioselective method for the synthesis of sulfur-chiral 1,2-benzothiazines from readily accessible diaryl sulfoximines is presented. Rhodium(III) complexes equipped with chiral cyclopentadienyl ligands and paired with suitable carboxylic acid additives engage in an enantiodetermining C?H activation directed by the sulfoximine group. Subsequent trapping of the rhodacycle with a broad range of diazoketones gives access to S-chiral 1,2-benzothiazines with synthetically highly attractive substitution patterns in good yields and enantioselectivities.

REACTION OF DIMETHYL SULFITE WITH PHENYLLITHIUM. FORMATION OF BIPHENYL AND DIPHENYL SULFIDE VIA SULFURANE

Hara, Yoshinori,Matsuda, Minoru

, p. 211 - 222 (2007/10/02)

Dimethyl sulfite reacted an excess of phenyllithium yielding biphenyl and diphenyl sulfide in good yield.Other dialkyl sulfites also reacted giving identical yields of biphenyl and diphenyl sulfide irrespective of the structure of the aryl groups, indicating that dialkyl sulfites can be used for the reaction with aryllithiums in place of diaryl sulfoxides.The mechanism of the reaction of diaryl sulfoxides with aryllithium is discussed on the the basis of the isomer distribution of bitolyls, the effect of additives, and the ratio of the benzyne and sulfonium salt pathways.Sulfurane 1 is formed in an initial stage of the reaction of diaryl sulfoxide with aryllithium followed by its competitive collapse by way of benzyne and sulfonium salt pathways.

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