[3,3-Bis(butylthio)propyl]benzene

Base Information

• Chemical Name: [3,3-Bis(butylthio)propyl]benzene
• CAS No.: 122380-13-6
• Molecular Formula: C₁₇H₂₈S₂
• Molecular Weight: 296.541
• DSSTox Substance ID: DTXSID201300655
• Mol file: 122380-13-6.mol

Synonyms:[3,3-Bis(butylthio)propyl]benzene;122380-13-6;DTXSID201300655

Chemical Property of [3,3-Bis(butylthio)propyl]benzene

Chemical Property:

• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 296.16324324
• Heavy Atom Count: 19
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCSC(CCC1=CC=CC=C1)SCCCC

Technology Process of [3,3-Bis(butylthio)propyl]benzene

There total 2 articles about [3,3-Bis(butylthio)propyl]benzene 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: 90.0%

n-butanethiol (109-79-5) + (3,3-dimethoxypropyl)benzene (30076-98-3) → [3,3-bis(butylthio)propyl]benzene (122380-13-6)

Guidance literature:

With magnesium bromide; In diethyl ether; for 0.166667h; Ambient temperature;

DOI:10.1246/cl.1989.629

Reference yield: 48.0%

dibutyl disulfide (629-45-8) + (3,3-dimethoxypropyl)benzene (30076-98-3) → 1-(1-butylthio)-3-phenylpropane (76216-50-7) + [3,3-bis(butylthio)propyl]benzene (122380-13-6)

Guidance literature:

dibutyl disulfide; With triethylsilane; indium(III) bromide; at 100 ℃; for 1h; Inert atmosphere; Neat (no solvent);

(3,3-dimethoxypropyl)benzene; at 100 ℃; for 1h; Inert atmosphere; Neat (no solvent);

DOI:10.1002/ejoc.200900566

upstream raw materials:

n-butanethiol

(3,3-dimethoxypropyl)benzene

dibutyl disulfide