966-71-2

Basic information

• Product Name: 1-[(4-methylphenyl)sulfinyl]-2,4-dinitrobenzene
• Synonyms: 2,4-Dinitrophenyl 4-methylphenyl sulfoxide
• CAS NO: 966-71-2
• Molecular Formula: C₁₃H₁₀N₂O₅S
• Molecular Weight: 306.2939
• Mol File: 966-71-2.mol

Chemical Properties

• Boiling Point: 504.6°C at 760 mmHg
• Flash Point: 259°C
• Density: 1.53g/cm³
• Vapor Pressure: 8.22E-10mmHg at 25°C
• Refractive Index: 1.696
• CAS DataBase Reference: 1-[(4-methylphenyl)sulfinyl]-2,4-dinitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[(4-methylphenyl)sulfinyl]-2,4-dinitrobenzene(966-71-2)
• EPA Substance Registry System: 1-[(4-methylphenyl)sulfinyl]-2,4-dinitrobenzene(966-71-2)

Safety Data

• Hazardous Substances Data: 966-71-2(Hazardous Substances Data)

Usage

Chemical structure

A benzene ring with a sulfinyl group (SO) attached to a 4-methylphenyl group and two nitro (NO) groups at the 2 and 4 positions.

Organic synthesis

As a reagent for the selective oxidation of sulfides to sulfoxides.

Pharmaceutical research

For the same purpose as in organic synthesis.

Dye and pigment synthesis

As a precursor due to its ability to impart color to various materials.

Antimicrobial properties

The compound has been studied for its potential to inhibit the growth of microorganisms.

Antioxidant properties

It has been investigated for its potential to neutralize harmful free radicals and prevent oxidative damage.

Toxicity

The compound may have harmful effects on human health if ingested, inhaled, or absorbed through the skin.

Skin and eye irritation

Prolonged contact with the skin or eyes may cause irritation or damage.

Safety precautions

It is important to handle 1-[(4-methylphenyl)sulfinyl]-2,4-dinitrobenzene with caution, using appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat to minimize exposure and potential health risks.

Upstream product

• 20114-05-0 2,4-dinitrobenzene p-methylbenzene sulfide 
• 97-00-7 1-chloro-2,4-dinitro-benzene 
• 106-45-6 para-thiocresol 

Downstream Products

• 14314-69-3 potassium 2,4-dinitrophenolate 

Relevant articles and documents

Synthesis and biological evaluation of optimized inhibitors of the mitotic kinesin Kif18A

The mitotic spindle, a highly dynamic structure composed of microtubules, mediates the segregation of the previously duplicated genome into the two nascent daughter cells. Errors in this process contribute to pathology including tumor formation. Key for the shape and function of the mitotic spindle are kinesins, molecular motor proteins that convert chemical energy into mechanical work. Due to their fast mode of action, small molecules are valuable tools to dissect the dynamic functions of kinesins during mitosis. In this study, we report the identification of optimized small molecule inhibitors of the mitotic kinesin Kif18A. Using BTB-1, the first identified Kif18A inhibitor, as a lead compound, we synthesized a collection of derivatives. We demonstrate that some of the synthesized derivatives potently inhibited the ATPase activity of Kif18A with a half maximal inhibitory concentration (IC50) value in the low micromolar range. In vitro analysis of a panel of Kif18A-related kinesins revealed that the two most potent compounds show improved selectivity compared to BTB-1. Structure-activity relationship studies identified substituents mediating undesired inhibitory effects on microtubule polymerization. In summary, our study provides key insights into the mechanism of action of BTB-1 and its analogs, which will have a great impact on the further development of highly selective and bioactive Kif18A inhibitors. Since Kif18A is frequently overexpressed in solid tumors, such compounds are not only of great interest for basic research but also have the potential to open up new strategies for the treatment of human diseases.

Cellulose as an efficient support for Mn(salen)Cl: Application for catalytic oxidation of sulfides to sulfoxides

Supported Mn(salen)Cl was prepared by immobilization of a homogeneous Mn(salen)Cl complex onto cellulose and characterized by FT-IR, TGA and atomic absorption spectroscopy. This heterogeneous catalyst is able to effectively catalyze the oxidation of aromatic sulfides in good yield under mild conditions. The catalytic activity of Mn(salen)Cl and [Mn(salen)Cl-cellulose] in this reaction was investigated. The heterogeneous catalyst showed higher catalytic activity with respect to the neat Mn(salen)Cl complex. The key advantages of this process are cost effectiveness of the catalyst, reusability of the catalyst and easy work-up. This journal is

Dinitrogen Tetroxide Impregnated Activated Charcoal (N2O 4/Charcoal): Selective Oxidation of Sulfides to Sulfoxides and Bisulfides to Thiosulfonates

Dinitrogen tetroxide was easily impregnated on activated charcoal to give a stable heterogeneous reagent (N2O4/charcoal). The chemoselective oxidation of sulfides to sulfoxides in the presence of different sensitive functional groups was achieved using this reagent in CH 2Cl2 at room temperature. Dialkyl sulfides were also selectively converted to their corresponding sulfoxides in the presence of diaryl or alkyl-aryl sulfides. Oxidation of disulfides to thiosulfonates without any over oxidation was also performed at room temperature by this system.

VARIATION OF THE VALENCE OF SULFUR IN SUBSTITUTED 2,4-DINITROPHENYL PHENYL SULFOXIDES IN REARRANGEMENT PROCESSES

The oxidation of the bridging sulfur atom in diphenyl sulfides, leading to the formation of sulfoxides and sulfones, was investigated.The various rearrangement processes which occur in substituted 2,4-dinitrophenyl phenyl sulfoxides during electron impact and lead to the appearance of characteristic fragment ions were demonstrated.The effect of the nature of substituents on the main directions in mass-spectrometric dissociation was investigated, and a correlation was obtained between log Z'/Z for the fragment due to elimination of the bridging SO group from the molecular ion and the Hammett ? constants.