Benzene, 1-methyl-4-[(2-phenylethyl)thio]-

Base Information

• Chemical Name: Benzene, 1-methyl-4-[(2-phenylethyl)thio]-
• CAS No.: 27846-23-7
• Molecular Formula: C15H16S
• Molecular Weight: 228.358
• DSSTox Substance ID: DTXSID30481040
• Nikkaji Number: J1.236.071A
• Wikidata: Q82316241
• Mol file: 27846-23-7.mol

Synonyms:Benzene, 1-methyl-4-[(2-phenylethyl)thio]-;27846-23-7;SCHEMBL1709979;DTXSID30481040

Chemical Property of Benzene, 1-methyl-4-[(2-phenylethyl)thio]-

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 228.09727168
• Heavy Atom Count: 16
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SCCC2=CC=CC=C2

Technology Process of Benzene, 1-methyl-4-[(2-phenylethyl)thio]-

There total 21 articles about Benzene, 1-methyl-4-[(2-phenylethyl)thio]- 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: 99.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + para-thiocresol (106-45-6) → 1-methyl-4-[(2-phenylethyl)sulfanyl]benzene (27846-23-7)

Guidance literature:

With benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one; In cyclohexane; at 20 ℃; for 1h; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1021/acs.joc.9b01331

Reference yield: 97.0%

1-methyl-4-(phenethylsulfinyl)benzene (94404-28-1) → 1-methyl-4-[(2-phenylethyl)sulfanyl]benzene (27846-23-7)

Guidance literature:

With titanium tetrachloride; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2005.01.127

Reference yield: 96.0%

2-mercaptophenylethane (4410-99-5) + 4-tolyl iodide (624-31-7) → 1-methyl-4-[(2-phenylethyl)sulfanyl]benzene (27846-23-7)

Guidance literature:

With pyridine; zinc; Karstedt’s catalyst; In toluene; at 70 ℃; for 10h;

DOI:10.1021/ol062344l

upstream raw materials:

(2-chloro-ethyl)-p-tolyl sulfide

P-toluenesulfonyl cyanide

3-Phenyl-propionic acid 2-thioxo-2H-pyridin-1-yl ester

S-2-(Phenyl)aethyl-S-phenyl-N-p-tosylsulfilimin

Downstream raw materials:

(S_S)-2-phenylethyl p-tolyl sulfoxide

(E)-methyl 3-{2-[2-(p-tolylthio)ethyl]phenyl}acrylate

(E)-phenyl 3-(2-(2-(p-tolylsulfinyl)ethyl)phenyl)acrylate

(E)-ethyl 3-(2-(2-(p-tolylsulfinyl)ethyl)phenyl)acrylate

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