1,1-Bis(phenylsulfanyl)propan-2-ylbenzene

Base Information

• Chemical Name: 1,1-Bis(phenylsulfanyl)propan-2-ylbenzene
• CAS No.: 110874-41-4
• Molecular Formula: C21H20S2
• Molecular Weight: 336.522
• DSSTox Substance ID: DTXSID10551412
• Mol file: 110874-41-4.mol

Synonyms:110874-41-4;DTXSID10551412;1,1'-[(2-Phenylpropane-1,1-diyl)disulfanediyl]dibenzene

Chemical Property of 1,1-Bis(phenylsulfanyl)propan-2-ylbenzene

Chemical Property:

• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 336.10064299
• Heavy Atom Count: 23
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)C(SC2=CC=CC=C2)SC3=CC=CC=C3

Technology Process of 1,1-Bis(phenylsulfanyl)propan-2-ylbenzene

There total 1 articles about 1,1-Bis(phenylsulfanyl)propan-2-ylbenzene 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: 80.0%

2-Phenylpropanal (34713-70-7) + phenylthiotrimethylsilane (4551-15-9) → 2-Phenyl-1,1-bis(phenylthio)propane (110874-41-4)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1021/jo00311a013

Reference yield:

2-Phenyl-1,1-bis(phenylthio)propane (110874-41-4) + allyl-trimethyl-silane (762-72-1) → (4S*,5R*)-5-Phenyl-4-(phenylthio)-1-hexene (110874-45-8) + (4R*,5R*)-5-Phenyl-4-(phenylthio)-1-hexene (110874-44-7)

Guidance literature:

With tin(IV) chloride; In dichloromethane; at 0 ℃; for 0.25h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo00311a013

Reference yield:

3,3-dimethyl-2-(trimethylsilyl)oxy-1-butene (17510-46-2) + 2-Phenyl-1,1-bis(phenylthio)propane (110874-41-4) → (5S*,6R*)-2,2-Dimethyl-6-phenyl-5-(phenylthio)-3-heptanone (110874-43-6) + (5R*,6R*)-2,2-Dimethyl-6-phenyl-5-(phenylthio)-3-heptanone (110874-42-5)

Guidance literature:

With titanium tetrachloride; In dichloromethane; Yield given. Yields of byproduct given. Title compound not separated from byproducts; 1) -78 deg C, 0.5 h, 2) 0 deg C, 0.5 h;

DOI:10.1021/jo00311a013

upstream raw materials:

2-Phenylpropanal

phenylthiotrimethylsilane

Downstream raw materials:

(5S*,6R*)-2,2-Dimethyl-6-phenyl-5-(phenylthio)-3-heptanone

(5R*,6R*)-2,2-Dimethyl-6-phenyl-5-(phenylthio)-3-heptanone

(4S*,5R*)-5-Phenyl-4-(phenylthio)-1-hexene

(4R*,5R*)-5-Phenyl-4-(phenylthio)-1-hexene