132034-91-4

Basic information

• Product Name: 4 6-DIETHYLDIBENZOTHIOPHENE 97
• Synonyms: 4 6-DIETHYLDIBENZOTHIOPHENE 97;4,6-Diethyldibenzothiophene 97%
• CAS NO: 132034-91-4
• Molecular Formula: C₁₆H₁₆S
• Molecular Weight: 240.368
• Product Categories: Benzothiophenes;Building Blocks;Heterocyclic Building Blocks;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks
• Mol File: 132034-91-4.mol

Chemical Properties

• Melting Point: 49-50 °C(lit.)
• Boiling Point: 386.5°C at 760 mmHg
• Flash Point: >230 °F
• Appearance: /
• Density: 1.129g/cm³
• Vapor Pressure: 7.84E-06mmHg at 25°C
• Refractive Index: 1.669
• CAS DataBase Reference: 4 6-DIETHYLDIBENZOTHIOPHENE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 4 6-DIETHYLDIBENZOTHIOPHENE 97(132034-91-4)
• EPA Substance Registry System: 4 6-DIETHYLDIBENZOTHIOPHENE 97(132034-91-4)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 132034-91-4(Hazardous Substances Data)

Usage

Uses

Used in Research and Development:
4,6-DIETHYLDIBENZOTHIOPHENE 97 is used as a reference standard for studying and understanding the properties and behaviors of similar compounds in the fields of organic synthesis and chemical analysis. Its high purity and specific chemical and physical properties make it a valuable tool for research and development.
Used in Organic Synthesis:
In the field of organic synthesis, 4,6-DIETHYLDIBENZOTHIOPHENE 97 is used as a starting material or intermediate for the synthesis of various complex organic molecules. Its distinct structure allows for the development of novel synthetic routes and the creation of new compounds with potential applications in various industries.
Used in Chemical Analysis:
4,6-DIETHYLDIBENZOTHIOPHENE 97 is utilized as a reference standard in chemical analysis to ensure the accuracy and reliability of analytical methods. Its high purity and distinct properties make it an ideal candidate for calibrating instruments and validating analytical techniques in quality control and research laboratories.

InChI:InChI=1/C16H16S/c1-3-11-7-5-9-13-14-10-6-8-12(4-2)16(14)17-15(11)13/h5-10H,3-4H2,1-2H3

Upstream product

• 132-65-0 dibenzothiophene 
• 7372-88-5 4-methyldibenzothiophene 
• 1207-12-1 4,6-dimethyldibenzothiophene 
• 74-88-4 methyl iodide 
• 75-03-6 ethyl iodide 
• 89816-99-9 4-Ethyldibenzothiophene 
• 64-67-5 diethyl sulfate 

Downstream Products

• 13049-38-2 3,3'-diethyl-1,1'-biphenyl 

Relevant articles and documents

Hydrodesulfurization of alkyldibenzothiophenes: Evidence of highly unreactive aromatic sulfur compounds

Crude oil usually contains ~ 1 wt % of sulfur and SOx (a major air pollutant) is emitted, during combustion of fuels. Deep HDS is hindered mainly by the alkyldibenzothiophenes. 4,6-Dimethyldibenzothiophene (4,6-DMDBT) is always present in hydrotreated gas oils, even after hard HDS conditions. The synthesis of 4,6-DMDBT is used as a model to improve the reactivity of HDS catalysts. Various dialkylbenzothiophenes containing methyl, ethyl, diisobutyl, and diisopropyl substituents in the fourth and sixth positions were synthesized and their reactivities compared over an NiMo/Al2O3 industrial catalyst. In a batch reactor at 573 K and at a total pressure of 5 MPa, studies were conducted. Kinetic studies and competitive reactions showed that adsorption on the surface of the catalyst was not the rate-determining step for their transformation. HDS was proposed to proceed via a network of parallel reactions after partial hydrogenation of one aromatic ring of the sulfur compound. Variations in the reactivities of the different dibenzothiophene derivatives agreed well to the steric hindrance generated by the alkyl groups near the sulfur atom. 4,6-Diisopropyldibenzothiophene showed very low reactivity, and the steric effect led to the disappearance of desulfurization under the reaction conditions.

Expeditious and efficient syntheses of pure 4-methyl and 4,6-disubstituted dibenzothiophenes

4-Lithio and 4,6-dilithiodibenzothiophenes were efficiently obtained by lithiation of dibenzothiophene with BuLi and BuLi-TMEDA, respectively. Very pure 4-methyl- and 4,6-dimethyldibenzothiophenes, substrates of great request in hydrosulfirization studies were easily prepared, on large scale and in excellent yields.

SCHWEFELVERBINGUNGEN DES ERDOELS XVIII. DIALKYLDIBENZOTHIOPHENE

The preparation of 2,8-, 2,6-, 2,3- and 4,6-dialkyldibenzothiophenes and of the corresponding 5,5-dioxides is described. 1H-NMR-data and GC-purities are given. Key words: Dimethyldibenzothiophenes; diethyldibenzothiophenes; 2,8-dipropyldibenzothiophene; 2,8-dibutyldibenzothiophene; 2,8-diisobutyldibenzothiophene; 3-ethyl-2-methyldibenzothiophene; dialkkyldibenzothiophene-5,5-dioxides.

Synthesis of Some 4-Substituted and 4,6-Disubstituted Dibenzothiophenes

The synthesis is described of various 4-substituted (1) and 4,6-disubstituted (2) dibenzothiophenes by lithiation reactions.The factors controlling the formation of 4,6-disubstituted dibenzothiophenes by the lithiation of 4-methyl- and 4-ethyl-dibenzothiophene at the 6-position versus lithiation at the α-carbon of the 4-substituent are examined.