1-[Bis(benzylsulfanyl)methyl]-4-nitrobenzene

Base Information

• Chemical Name: 1-[Bis(benzylsulfanyl)methyl]-4-nitrobenzene
• CAS No.: 21299-21-8
• Molecular Formula: C21H19NO2S2
• Molecular Weight: 381.519
• NSC Number: 122668
• DSSTox Substance ID: DTXSID50298359
• Wikidata: Q82040127
• Mol file: 21299-21-8.mol

Synonyms:21299-21-8;1-[bis(benzylsulfanyl)methyl]-4-nitrobenzene;NSC122668;DTXSID50298359;NSC-122668

Chemical Property of 1-[Bis(benzylsulfanyl)methyl]-4-nitrobenzene

Chemical Property:

• Vapor Pressure: 7.34E-11mmHg at 25°C
• Boiling Point: 531.9°Cat760mmHg
• Flash Point: 275.5°C
• Density: 1.268g/cm³
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 381.08572120
• Heavy Atom Count: 26
• Complexity: 387

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC(C2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Technology Process of 1-[Bis(benzylsulfanyl)methyl]-4-nitrobenzene

There total 5 articles about 1-[Bis(benzylsulfanyl)methyl]-4-nitrobenzene 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: 96.0%

4-nitrobenzaldehdye (555-16-8) + phenylmethanethiol (100-53-8) → 4-nitrophenyl[bis(benzylthio)]methane (21299-21-8)

Guidance literature:

With sodium dodecyl-sulfate; trichloroacetic acid; In water; at 25 ℃; for 6h; chemoselective reaction;

DOI:10.1080/17415993.2011.608165

Reference yield: 72.0%

1.3-propanedithiol (109-80-8) + 4-nitrobenzaldehdye (555-16-8) → 4-nitrophenyl[bis(benzylthio)]methane (21299-21-8)

Guidance literature:

With tetrachlorosilane; In dichloromethane; for 1h; Ambient temperature;

Reference yield: 67.0%

4-nitrobenzaldehdye (555-16-8) + phenylmethanethiol (100-53-8) + p-Chlorothiophenol (106-54-7) → 4-nitrophenyl[bis(benzylthio)]methane (21299-21-8) + ((4-nitrophenyl)methylene)bis((4-chlorophenyl)sulfane) (74314-62-8) + benzyl(((4-chlorophenyl)thio)(4-nitrophenyl)methyl)sulfane

Guidance literature:

With camphor-10-sulfonic acid; In 1,4-dioxane; at 20 ℃; for 1h; Overall yield = 99 percent; Overall yield = 0.4 g; Schlenk technique;

DOI:10.1002/chem.202004835

upstream raw materials:

4-nitrobenzaldehdye

phenylmethanethiol

1.3-propanedithiol

benzyl-(4-nitro-benzyl)-sulfoxide

Downstream raw materials:

4-nitrobenzaldehdye

4-nitrophenyl[bis(benzylsulfonyl)]methane