2-Butyldibenzothiophene

Base Information

• Chemical Name: 2-Butyldibenzothiophene
• CAS No.: 147792-31-2
• Molecular Formula: C₁₆H₁₆S
• Molecular Weight: 240.369
• DSSTox Substance ID: DTXSID30703375
• Nikkaji Number: J571.234C
• Wikidata: Q82635530
• Mol file: 147792-31-2.mol

Synonyms:2-BUTYLDIBENZOTHIOPHENE;147792-31-2;Dibenzothiophene, 2-butyl-;2-Butyldibenzo[b,d]thiophene;SCHEMBL14798196;DTXSID30703375;3-OXOENANTHICACIDETHYLESTER;12-butyl-8-thiatricyclo[7.4.0.0?,?]trideca-1(9),2,4,6,10,12-hexaene

Chemical Property of 2-Butyldibenzothiophene

Chemical Property:

• PSA: 28.24000
• LogP: 5.39710
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 240.09727168
• Heavy Atom Count: 17
• Complexity: 250

Purity/Quality:

99%min ^*data from raw suppliers

2-BUTYLDIBENZOTHIOPHENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC2=C(C=C1)SC3=CC=CC=C32

Technology Process of 2-Butyldibenzothiophene

There total 3 articles about 2-Butyldibenzothiophene 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: 81.0%

2-Butyldibenzothiophen-5,5-dioxid (147792-39-0) → 2-Butyldibenzothiophen (147792-31-2)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 5h; Heating;

Reference yield:

dibenzothiophene (132-65-0) → 2-Butyldibenzothiophen (147792-31-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 percent / AlCl₃ / CS₂ / 4 h / Heating

2: 1) N₂H₄*H₂O, 2) KOH / 1) triglycol, 1 h, 180 deg C, 2) 4 h, 180 deg C

With potassium hydroxide; aluminium trichloride; hydrazine hydrate; In carbon disulfide;

Reference yield:

2-Butyryldibenzothiophen (147792-25-4) → 2-Butyldibenzothiophen (147792-31-2)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; Yield given. Multistep reaction; 1) triglycol, 1 h, 180 deg C, 2) 4 h, 180 deg C;

upstream raw materials:

2-Butyryldibenzothiophen

2-Butyldibenzothiophen-5,5-dioxid

dibenzothiophene

Downstream raw materials:

4-Butyldibenzothiophen

Refernces