1,4-Bis(phenylsulfinyl)butane

Base Information

• Chemical Name: 1,4-Bis(phenylsulfinyl)butane
• CAS No.: 161811-31-0
• Molecular Formula: C16H18O2S2
• Molecular Weight: 306.44300
• DSSTox Substance ID: DTXSID10573654
• Nikkaji Number: J1.057.604K
• Mol file: 161811-31-0.mol

Synonyms:161811-31-0;1,4-bis(phenylsulfinyl)butane;DTXSID10573654;1,1'-(Butane-1,4-diyldisulfinyl)dibenzene

Chemical Property of 1,4-Bis(phenylsulfinyl)butane

Chemical Property:

• PSA: 72.56000
• LogP: 5.11360
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 306.07482216
• Heavy Atom Count: 20
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)CCCCS(=O)C2=CC=CC=C2

Technology Process of 1,4-Bis(phenylsulfinyl)butane

There total 1 articles about 1,4-Bis(phenylsulfinyl)butane 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: 50.0%

α-Bromoethyl phenyl sulfoxide (26910-34-9) → ethylphenylsulfoxide (51207-25-1,67529-33-3,104113-36-2,4170-80-3) + 1,3-bis(phenylsulfinyl)butane (161811-31-0)

Guidance literature:

aluminum oxide; dicobalt octacarbonyl; In hexane; Ambient temperature;

DOI:10.1021/jo00171a047

Reference yield: 82.0%

praseodymium(III) perchlorate hydrate + 1,3-bis(phenylsulfinyl)butane (161811-31-0) → [Pr(C16H18S2O2)4ClO4](2+)*2ClO4(1-) = [Pr(C16H18S2O2)4ClO4](ClO4)2

Guidance literature:

With triethyl orthoformate; In methanol; chloroform; stirring (80°C, 7-8 h); filtn., washing (MeOH, Et2O several times), drying (over CaCl); elem. anal.;

Reference yield: 80.0%

gadolinium(III) perchlorate hydrate + 1,3-bis(phenylsulfinyl)butane (161811-31-0) → [Gd(1,4-bis(phenylsulfinyl)butane)4](ClO4)3

Guidance literature:

In methanol; chloroform; layered diffusion MeOH soln. Ln(ClO4)3*nH2O into CHCl3 soln. ligand using triethylorthoformate "bufer layer"; elem. anal.;

DOI:10.1039/b308473f

upstream raw materials:

α-Bromoethyl phenyl sulfoxide