Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(methylthio)methyl]-

Base Information

• Chemical Name: Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(methylthio)methyl]-
• CAS No.: 852332-84-4
• Molecular Formula: C15H16OS2
• Molecular Weight: 276.423
• DSSTox Substance ID: DTXSID60461355
• Mol file: 852332-84-4.mol

Synonyms:852332-84-4;Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(methylthio)methyl]-;DTXSID60461355

Chemical Property of Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(methylthio)methyl]-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 276.06425748
• Heavy Atom Count: 18
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)C2=CC=CC=C2CSC
• Isomeric SMILES: CC1=CC=C(C=C1)[S@](=O)C2=CC=CC=C2CSC

Technology Process of Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(methylthio)methyl]-

There total 1 articles about Benzene, 1-[(S)-(4-methylphenyl)sulfinyl]-2-[(methylthio)methyl]- 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: 70.0%

Dimethyldisulphide (624-92-0) + (S)-2-methyl-1-(p-tolylsulfinyl)benzene (10381-68-7,42872-16-2,78821-95-1,1517-78-8) → (S)-α-(methylsulfenyl)-2-(p-tolylsulfinyl)toluene (852332-84-4)

Guidance literature:

(S)-2-methyl-1-(p-tolylsulfinyl)benzene; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃;

Dimethyldisulphide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

DOI:10.1021/jo050129x

Reference yield: 85.0%

(S)-α-(methylsulfenyl)-2-(p-tolylsulfinyl)toluene (852332-84-4) + (S)-N-benzylidene-4-toluenesulfinamide (153277-49-7) → [1R,2S,(S)S]-N-{1-phenyl-2-[(S)-2-(p-toluenesulfinyl)phenyl]-2-(methylthio)ethyl}-p-toluenesulfinamide (852332-86-6)

Guidance literature:

(S)-α-(methylsulfenyl)-2-(p-tolylsulfinyl)toluene; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 0.0833333h;

(S)-N-benzylidene-4-toluenesulfinamide; In tetrahydrofuran; hexane; at -78 ℃;

DOI:10.1021/jo050129x

Reference yield: 82.0%

(S)-α-(methylsulfenyl)-2-(p-tolylsulfinyl)toluene (852332-84-4) + C16H14N2OS (866993-50-2) → [2S,3S,S(R)]-N-{2-(4-cyanophenyl)-3-[(S)-2-(p-toluenesulfinyl)phenyl]-3-(methylsulfenyl)propyl}-p-toluenesulfinamide (1093167-63-5)

Guidance literature:

(S)-α-(methylsulfenyl)-2-(p-tolylsulfinyl)toluene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.0833333h; Inert atmosphere;

C₁₆H₁₄N₂OS; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere;

With water; ammonium chloride; In tetrahydrofuran; hexane; at -78 ℃; optical yield given as %de;

DOI:10.1021/jo802200f

upstream raw materials:

Dimethyldisulphide

(S)-2-methyl-1-(p-tolylsulfinyl)benzene

Downstream raw materials:

[1R,2S,(S)S]-N-{1-(o-bromophenyl)-2-[(S)-2-(p-toluenesulfinyl)phenyl]-2-(methylthio)ethyl}-p-toluenesulfinamide

[1R,2S,(S)S]-N-{1-(p-cyanophenyl)-2-[(S)-2-(p-toluenesulfinyl)phenyl]-2-(methylthio)ethyl}-p-toluenesulfinamide

[1R,2S,(S)S]-N-{1-(2-naphthyl)-2-[(S)-2-(p-toluenesulfinyl)phenyl]-2-(methylthio)ethyl}-p-toluenesulfinamide

[1R,2S,(S)S]-N-{1-phenyl-2-[(S)-2-(p-toluenesulfinyl)phenyl]-2-(methylthio)ethyl}-p-toluenesulfinamide