1-Nitro-4-[(phenylsulfanyl)methyl]benzene

Base Information

• Chemical Name: 1-Nitro-4-[(phenylsulfanyl)methyl]benzene
• CAS No.: 7703-38-0
• Molecular Formula: C13H11NO2S
• Molecular Weight: 245.302
• DSSTox Substance ID: DTXSID70353136
• Nikkaji Number: J426.852K
• Wikidata: Q82130586
• Mol file: 7703-38-0.mol

Synonyms:1-nitro-4-[(phenylsulfanyl)methyl]benzene;Cambridge id 5344745;7703-38-0;4-nitrobenzyl phenyl thioether;SCHEMBL5657358;DTXSID70353136;NGWOGIJJDCFNAL-UHFFFAOYSA-N;CCG-45782;AKOS024326528;1-nitro-4-[(phenylthio)methyl]benzene;SR-01000635531-1

Chemical Property of 1-Nitro-4-[(phenylsulfanyl)methyl]benzene

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.05104977
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-Nitro-4-[(phenylsulfanyl)methyl]benzene

There total 21 articles about 1-Nitro-4-[(phenylsulfanyl)methyl]benzene 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%

diphenyldisulfane (882-33-7) + 1-bromomethyl-4-nitro-benzene (100-11-8) → 4-nitrobenzylphenyl sulfide (7703-38-0)

Guidance literature:

With water; rongalite; potassium carbonate; In N,N-dimethyl-formamide; for 0.25h;

DOI:10.1055/s-2006-950363

Reference yield: 93.0%

4-nitrobenzyl phenyl sulfoxide (17530-84-6) → 4-nitrobenzylphenyl sulfide (7703-38-0)

Guidance literature:

With bromine; triphenylphosphine; copper(I) bromide; In acetonitrile; for 36h; Heating;

DOI:10.1246/cl.2007.1324

Reference yield: 87.0%

methyl-phenyl-thioether (100-68-5) + 1-bromomethyl-4-nitro-benzene (100-11-8) → 4-nitrobenzylphenyl sulfide (7703-38-0)

Guidance literature:

With N,N-dimethyl acetamide; at 160 ℃; for 12h; Schlenk technique;

DOI:10.1002/asia.201801679

upstream raw materials:

potassium thiophenolate

thiophenol

1-bromomethyl-4-nitro-benzene

bis(phenylthio)methane

Downstream raw materials:

α-Chloro-4-nitrobenzyl phenyl sulfone

4-benzenesulfonylmethyl-aniline

4-nitrobenzyl phenyl sulfoxide

p-nitrobenzyl phenyl sulfone

Refernces

• 1、 Radfar, Iman,Kazemi Miraki, Maryam,Esfandiary, Naghmeh,Ghandi, Leila,Heydari, Akbar. "Fe3O4@SiO2-copper sucrose xanthate as a green nanocatalyst for N-, O- and S-arylation". . . Retrieved 2019/01/04.
• 2、 Gholinejad, Mohammad. "One-Pot Copper-Catalysed Thioetherification of Aryl Halides Using Alcohols and Lawesson's Reagent in Diglyme". . p. 4162 - 4167. Retrieved 2015/06/30.