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

Base Information

• Chemical Name: 1-[Bis(phenylsulfanyl)methyl]-4-nitrobenzene
• CAS No.: 23837-16-3
• Molecular Formula: C19H15 N O2 S2
• Molecular Weight: 353.466
• European Community (EC) Number: 659-849-6
• NSC Number: 122666
• DSSTox Substance ID: DTXSID30298357
• Wikidata: Q82040124

Synonyms:23837-16-3;1-[bis(phenylsulfanyl)methyl]-4-nitrobenzene;NSC122666;DTXSID30298357;AKOS024434493;NSC-122666;4-NITROBENZALDEHYDE DIPHENYL MERCAPTAL

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

Chemical Property:

• Vapor Pressure: 2.01E-10mmHg at 25°C
• Boiling Point: 520.7°C at 760 mmHg
• Flash Point: 268.7°C
• Density: 1.32g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 353.05442107
• Heavy Atom Count: 24
• Complexity: 361

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)SC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3

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

There total 14 articles about 1-[Bis(phenylsulfanyl)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: 95.0%

4-nitrobenzaldehdye (555-16-8) + 1,3-dibenzyl-2-oxo-5-(4-tert-butyldimethylsilyloxy-2-thiabut-3-enyl)-4-phenylthioimidazolidine (367276-83-3) → ((4-nitrophenyl)methylene)bis(phenylsulfane) (23837-16-3) + (3aS,4S,6aR)-1,3-dibenzyl-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4-carbaldehyde (154097-01-5)

Guidance literature:

With t-butyldimethylsiyl triflate; In dichloromethane; at 20 ℃; for 0.0833333h;

DOI:10.1021/jo015730j

Reference yield: 94.0%

4-nitrobenzaldehdye (555-16-8) + thiophenol (108-98-5) → ((4-nitrophenyl)methylene)bis(phenylsulfane) (23837-16-3)

Guidance literature:

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

DOI:10.1080/17415993.2011.608165

Reference yield: 93.0%

p-nitrobenzaldehyde diethyl acetal (2403-62-5) + thiophenol (108-98-5) → ((4-nitrophenyl)methylene)bis(phenylsulfane) (23837-16-3)

Guidance literature:

With indium(III) chloride; In 1,2-dichloro-ethane; for 0.166667h; Heating;

DOI:10.1055/s-2002-25347

upstream raw materials:

4-nitrobenzaldehdye

thiophenol

4,4'-((4-nitrophenyl)methylene)dimorpholine

diphenyldisulfane

Downstream raw materials:

4-nitrobenzaldehdye

(difluoro(4-nitrophenyl)methyl)(phenyl)sulfide

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