Benzyl 4-methoxyphenyl sulfide

Base Information

• Chemical Name: Benzyl 4-methoxyphenyl sulfide
• CAS No.: 26905-24-8
• Molecular Formula: C14H14OS
• Molecular Weight: 230.331
• DSSTox Substance ID: DTXSID10447720
• Nikkaji Number: J426.853I
• Wikidata: Q82266602
• Mol file: 26905-24-8.mol

Synonyms:Benzyl 4-methoxyphenyl sulfide;26905-24-8;4-benzylsulfanylanisole;1-benzylsulfanyl-4-methoxybenzene;1-(benzylsulfanyl)-4-methoxybenzene;4-Methoxyphenyl benzyl sulfide;SCHEMBL2433694;DTXSID10447720;GGUMXGHTTKUDNB-UHFFFAOYSA-N;Benzyl-(4-methoxy-phenyl)-sulfane;BBA90524;AKOS017094763;FS-5470

Chemical Property of Benzyl 4-methoxyphenyl sulfide

Chemical Property:

• Vapor Pressure: 5.57E-05mmHg at 25°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 230.07653624
• Heavy Atom Count: 16
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)SCC2=CC=CC=C2

Technology Process of Benzyl 4-methoxyphenyl sulfide

There total 74 articles about Benzyl 4-methoxyphenyl sulfide 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%

benzyl chloride (100-44-7) + 4-methoxy-aniline (104-94-9) → 1-benzylsulfanyl-4-methoxy-benzene (26905-24-8)

Guidance literature:

benzyl chloride; With [2,2]bipyridinyl; copper(ll) sulfate pentahydrate; sodium thiosulfate pentahydrate; In methanol; water; at 80 ℃; for 2h; Schlenk technique;

4-methoxy-aniline; With tert.-butylnitrite; In methanol; water; at 0 - 80 ℃; for 4.66667h; Schlenk technique;

DOI:10.1021/ol5009747

Reference yield: 98.0%

para-iodoanisole (696-62-8) + phenylmethanethiol (100-53-8) → 1-benzylsulfanyl-4-methoxy-benzene (26905-24-8)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; triphenylphosphine; sodium t-butanolate; In toluene; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.06.054

Reference yield: 97.0%

4,4'-dimethoxyphenyl disulfide (5335-87-5) + benzyl chloride (100-44-7) → 1-benzylsulfanyl-4-methoxy-benzene (26905-24-8)

Guidance literature:

With hydrogenchloride; zinc; In water; at 20 ℃; for 0.333333h; Ionic liquid; Inert atmosphere;

DOI:10.1016/j.tet.2011.04.018

upstream raw materials:

4-Methoxybenzenethiol

benzyl bromide

para-iodoanisole

benzylthio trimethylstannane

Downstream raw materials:

benzyl 4-methoxyphenyl sulfoxide

(R)-S-benzyl-S-(4-methoxyphenyl)-N-(p-tolylsulfonyl)sulfilimine

benzaldehyde

4-Methoxybenzenethiol