3-METHYLDIBENZOTHIOPHENE

Base Information

• Chemical Name: 3-METHYLDIBENZOTHIOPHENE
• CAS No.: 16587-52-3
• Molecular Formula: C13H10 S
• Molecular Weight: 198.2835
• Hs Code.: 2934999090
• Mol file: 16587-52-3.mol

Synonyms:3-Methyldibenzo[b,d]thiophene;3-Methyldibenzothiophene

Chemical Property of 3-METHYLDIBENZOTHIOPHENE

Chemical Property:

• Vapor Pressure: 9.74E-05mmHg at 25°C
• Boiling Point: 349°Cat760mmHg
• Flash Point: 122.6°C
• PSA: 28.24000
• Density: 1.213g/cm³
• LogP: 4.36290

Purity/Quality:

99%min ^*data from raw suppliers

3-Methyldibenzothiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Methyldibenzothiophene, is an alkyldibenzothiophene present in crude oil. Research concerning the biodegradation of Dibenzothiophene by different types of bacteria is a currently being carried out, as these bacteria have the ability to breakdown other harmful PAH’s as well. This may be used in removing spilled oil from marine and terrestrial environments.

Technology Process of 3-METHYLDIBENZOTHIOPHENE

There total 35 articles about 3-METHYLDIBENZOTHIOPHENE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2,2′-dibromo-4-methyl-1,1′-biphenyl → 3-methyl-dibenzothiophene (16587-52-3)

Guidance literature:

2,2′-dibromo-4-methyl-1,1′-biphenyl; With n-butyllithium; In diethyl ether; hexane; at -40 - 0 ℃;

With thionyl chloride; In diethyl ether; hexane; at -78 - 20 ℃;

DOI:10.1016/j.tet.2021.131978

Reference yield: 93.0%

4'-methyl-[1,1'-biphenyl]-2-thiol → 3-methyl-dibenzothiophene (16587-52-3)

Guidance literature:

With palladium dichloride; In dimethyl sulfoxide; at 140 ℃; for 24h; Reagent/catalyst; Temperature; Catalytic behavior; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.8b02347

Reference yield: 92.0%

3-(2'-fluoro-4-methyl-biphenyl-2-ylsulfanyl)propionic acid ethyl ester (1264711-96-7) → 3-methyl-dibenzothiophene (16587-52-3)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 50 ℃; for 8h; Inert atmosphere;

DOI:10.1002/ejoc.201001393

upstream raw materials:

2-bromodibenzo[b,d]thiophene

dimethyl sulfate

3-Methyldibenzothiophen-5,5-dioxid

2-Allylsulfanyl-benzoic acid p-tolyl ester

Refernces

• 1、 -. "Synthesis method of substituted dibenzothiophene compound". Paragraph 0035; 0039-0040. . Retrieved 2021/03/30.
• 2、 Nishino, Kota,Ogiwara, Yohei,Sakai, Norio. "Palladium(II)-Catalyzed Synthesis of Dibenzothiophenes from 2-Biphenylyl Disulfides by C?H Functionalization". . p. 10971 - 10974. Retrieved 2018/08/09.