56637-46-8

Basic information

• Product Name: 2-(2-methylphenyl)-1,3-dithiane
• Synonyms: 2-(2-methylphenyl)-1,3-dithiane
• CAS NO: 56637-46-8
• Molecular Formula: C₁₁H₁₄S₂
• Molecular Weight: 210.35886
• Mol File: 56637-46-8.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 345.6°Cat760mmHg
• Flash Point: 168.5°C
• Appearance: /
• Density: 1.131g/cm³
• Vapor Pressure: 0.000122mmHg at 25°C
• Refractive Index: 1.605
• CAS DataBase Reference: 2-(2-methylphenyl)-1,3-dithiane(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-methylphenyl)-1,3-dithiane(56637-46-8)
• EPA Substance Registry System: 2-(2-methylphenyl)-1,3-dithiane(56637-46-8)

Safety Data

• Hazardous Substances Data: 56637-46-8(Hazardous Substances Data)

Usage

Dithiane compound

It has a six-membered ring structure that contains two sulfur atoms, which is characteristic of dithiane compounds.

Carbon-carbon double bond

The six-membered ring in 2-(2-methylphenyl)-1,3-dithiane includes a carbon-carbon double bond, contributing to its chemical reactivity.

Building block in organic synthesis

This compound is often used as a starting material or intermediate in the synthesis of more complex organic molecules, particularly in the preparation of pharmaceuticals and natural products.

Chiral auxiliary in asymmetric synthesis

2-(2-methylphenyl)-1,3-dithiane can be utilized as a chiral auxiliary, which helps induce chirality in the molecules it is used with, leading to the formation of enantiomerically pure products in asymmetric synthesis.

Antioxidant properties

2-(2-methylphenyl)-1,3-dithiane has been studied for its potential antioxidant properties, which could help protect cells from oxidative damage caused by free radicals.

Anti-inflammatory properties

The compound has also been investigated for its potential anti-inflammatory properties, which could be useful in the development of new therapeutic agents to treat inflammation-related diseases.

Interest in the development of new therapeutic agents

Due to its potential antioxidant and anti-inflammatory properties, 2-(2-methylphenyl)-1,3-dithiane is of interest to researchers in the development of new drugs for various medical conditions.

InChI:InChI=1/C11H14S2/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11/h2-3,5-6,11H,4,7-8H2,1H3

Upstream product

• 109-80-8 1.3-propanedithiol 
• 529-20-4 2-methylphenyl aldehyde 
• 64380-54-7 2-(2-methylphenyl)-1,3-dioxolane 
• 14683-79-5 salicylaldoxime 
• 57529-04-1 2-chloro-1,3-dithiane 

Downstream Products

• 97684-09-8 1,1,1,7,7,7-Hexaphenyl-2,6-dithiaheptan 
• 529-20-4 2-methylphenyl aldehyde 
• 1507379-54-5 3-(2-(o-tolyl)-1,3-dithian-2-yl)cyclohexanone 
• 1507379-59-0 2-(o-tolyl)-2-trimethylsilyl-1,3-dithiane 
• 65284-33-5 (o-tolylcarbonyl)trimethylsilane 

Relevant articles and documents

A 2 - substituted - 1, 3 - dithiane derivative of the preparation method

The invention provides a preparation method of a 2-substituted-1,3-dithiane derivative. The preparation method comprises the following steps: adding 1,3-dithiane (CAS:505-23-7) and 1,2-dichloroethane (DCE) or dichloromethane (DCM) into a reaction bottle, adding N-chlorosuccinimide (NCS) under ice-bath condition, and stirring for 0.5-1 h to prepare a 2-chloro-1,3-dithiane solution; and adding an aldehyde or ketone compound and a lewis acid catalyst into the above solution, and reacting to prepare the 2-substituted-1,3-dithiane derivative. By using the 1,3-dithiane solid and different types of aldehyde and keto-carbonyl compounds as raw material and using one or more of ferric trichloride, boron trifluoride diethyl etherate, methanesulfonic acid, aluminum trichloride, ferrous chloride and nickel chloride as catalysts, preparation of the 2-substituted-1,3-dithiane derivative is realized. The catalysts used in the invention are cheap and easily available, dosage of the catalysts is low and pollution of the catalysts is little. The solid raw materials used in the invention can avoid use of fetid toxic 1,3-dimercaptopropane with strong volatility, and the purpose of protecting an experimenter's body and reducing environmental pollution is realized. In addition, the preparation method has advantages of mild reaction condition, high yield, simple operation and the like.

Enantio-, Regio- and Chemoselective Copper-Catalyzed 1,2-Hydroborylation of Acylsilanes

Enantioselective synthesis of synthetically significant (α-hydroxyallyl)silanes, (α-hydroxyaryl)silanes, and (α-hydroxyalkyl)silanes is reported. The present copper-catalyzed 1,2-selective hydroborylation of acylsilanes affords the aforementioned products

Pot-economy autooxidative condensation of 2-Aryl-2-lithio-1,3-dithianes

The autoxidative condensation of 2-aryl-2-lithio-1,3-dithianes is here reported. Treatment of 2-aryl-1,3-dithianes with n-BuLi in the absence of any electrophile leads to condensation of three molecules of 1,3-dithianes and formation of highly functionalized α-thioether ketones orthothioesters in 51-89% yields upon air exposure. The method was further expanded to benzaldehyde dithioacetals, affording corresponding orthothioesters and α-thioether ketones in 48-97% yields. The experimental results combined with density functional theory studies support a mechanism triggered by the autoxidation of 2-aryl-2-lithio-1,3-dithianes to yield a highly reactive thioester that undergoes condensation with two other molecules of 2-aryl-2-lithio-1,3-dithiane.