Dibenzothiophene

Base Information

• Chemical Name: Dibenzothiophene
• CAS No.: 132-65-0
• Molecular Formula: C12H8S
• Molecular Weight: 184.262
• Hs Code.: 29349990
• European Community (EC) Number: 205-072-9
• NSC Number: 756732,2843
• UNII: Z3D4AJ1R48
• DSSTox Substance ID: DTXSID0047741
• Nikkaji Number: J2.523B
• Wikipedia: Dibenzothiophene
• Wikidata: Q544767
• NCI Thesaurus Code: C47484
• Metabolomics Workbench ID: 53911
• ChEMBL ID: CHEMBL219828
• Mol file: 132-65-0.mol

Synonyms:dibenzothiophene

Chemical Property of Dibenzothiophene

Chemical Property:

• Appearance/Colour: White to light yellow crystal powder
• Vapor Pressure: 0.000281mmHg at 25°C
• Melting Point: 97-100 °C(lit.)
• Refractive Index: 1.756
• Boiling Point: 332.5 °C at 760 mmHg
• Flash Point: 114.806 °C
• PSA: 28.24000
• Density: 1.252 g/cm³
• LogP: 4.05450
• Storage Temp.: Store below +30°C.
• Solubility.: 0.0015g/l (Lit.)
• Water Solubility.: SOLUBLE
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 184.03467143
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Dibenzothiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,N
• Statements: 22-20/21/22-50/53
• Safety Statements: 36-61-60

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2
• Description: Dibenzothiophene (DBT) is an organosulfur compound found in crude oil and petroleum. It is a colourless solid that is chemically somewhat similar to anthracene. Dibenzothiophene is used as a chemical intermediate in cosmetics and pharmaceuticals (NLM, 2006).It is used to investigate the effect of sulfur compounds in gasoline range during the fluid catalytic cracking (FCC) process.
• Uses: Dibenzothiophene (DBT) can be used as:A starting material for the synthesis of corresponding sulfoxide and sulfone by oxidative desulfurization using various catalysts.A template for the synthesis of surface molecular imprinted polymer (SMIP). SMIP is applicable for the removal of dibenzothiophene during desulfurization of the gasoline.A precursor for the synthesis of DBT based π-conjugating polymers. Dibenzothiophene is used to investigate the effect of sulfur compounds in gasoline range during the fluid catalytic cracking (FCC) process.

Technology Process of Dibenzothiophene

There total 266 articles about Dibenzothiophene 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: 98.0%

2-(5-benzyloxy-pentylsulfanyl)-2'-iodo-biphenyl → dibenzothiophene (132-65-0) + ((pentyloxy)methyl)benzene (6382-14-5)

Guidance literature:

With triethyl borane; tri-n-butyl-tin hydride; In dichloromethane; at -78 ℃; for 0.5h;

DOI:10.1002/1615-4169(20010226)343:2<166::AID-ADSC166>3.0.CO;2-O

Reference yield: 50.0%

4'-nitrobiphenyl-2-sulphenanilide (110228-47-2) → dibenzothiophene (132-65-0) + 1-phenyl-2-[(2-phenylphenyl)disulfanyl]benzene (19813-97-9) + 4-nitro-aniline (100-01-6,104810-17-5) + 2-(biphenyl-2-ylthio)-4-nitroaniline (110228-55-2)

Guidance literature:

In benzene; at 150 ℃; for 20h;

Reference yield:

→ dibenzothiophene (132-65-0) + 3-phenyldibenzo[b,d]thiophene (98251-30-0) + 2-dibenzothiophenethiol (68560-31-6) + benzene-1,4-dithiol (624-39-5) + diphenyl sulfide (139-66-2) + 1,4-bis(phenylthio)benzene (3459-94-7) + 2-(phenylthio)-dibenzothiophene + 4-phenylmercaptothiophenol (52872-99-8) + [1,1'-biphenyl]-4-yl(phenyl)sulfane (59090-57-2) + thiophenol (108-98-5)

Guidance literature:

at 650 ℃; Inert atmosphere; Pyrolysis;

DOI:10.1021/ma902118s

upstream raw materials:

2-bromo-2’-fluoro-1,1’-biphenyl

o-fluorophenylboronic acid

1,2,3,4-tetrahydrodibenzothiophene

dibenzothiophene sulfone

Downstream raw materials:

β-(dibenzothiophene-2-carbonyl)propionic acid

2-(o-carboxybenzoyl)dibenzothiophene

dibenzo[b,d]thiophene-4-amine

dibenzothiophene-1-carboxylic acid