1-Methyl-4-{[2-(4-nitrophenyl)propan-2-yl]sulfanyl}benzene

Base Information

• Chemical Name: 1-Methyl-4-{[2-(4-nitrophenyl)propan-2-yl]sulfanyl}benzene
• CAS No.: 113109-56-1
• Molecular Formula: C₁₆H₁₇NO₂S
• Molecular Weight: 287.382
• DSSTox Substance ID: DTXSID30554945
• Wikidata: Q82436140
• Mol file: 113109-56-1.mol

Synonyms:113109-56-1;DTXSID30554945;1-Methyl-4-{[2-(4-nitrophenyl)propan-2-yl]sulfanyl}benzene

Chemical Property of 1-Methyl-4-{[2-(4-nitrophenyl)propan-2-yl]sulfanyl}benzene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 287.09799996
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC(C)(C)C2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-Methyl-4-{[2-(4-nitrophenyl)propan-2-yl]sulfanyl}benzene

There total 5 articles about 1-Methyl-4-{[2-(4-nitrophenyl)propan-2-yl]sulfanyl}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: 88.0%

p-nitrocumyl azide (105639-48-3) + sodium p-thiocresolate (10486-08-5) → p-nitrocumyl p-tolyl sulfide (113109-56-1)

Guidance literature:

In dimethyl sulfoxide; for 2h; Ambient temperature; Irradiation;

DOI:10.1021/jo00242a024

Reference yield: 79.0%

p-nitrocumyl phenyl sulfide (15013-24-8) + sodium p-thiocresolate (10486-08-5) → p-nitrocumyl p-tolyl sulfide (113109-56-1)

Guidance literature:

In N,N-dimethyl-formamide; for 6h; Ambient temperature; Irradiation;

DOI:10.1021/jo00242a024

Reference yield:

(p-nitrocumyl)quinuclidinium chloride (105639-51-8) → p-nitrocumyl p-tolyl sulfide (113109-56-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / sodium azide / dimethylsulfoxide / 15 h / Ambient temperature; Irradiation

2: 88 percent / dimethylsulfoxide / 2 h / Ambient temperature; Irradiation

With sodium azide; In dimethyl sulfoxide;

DOI:10.1021/jo00242a024

upstream raw materials:

p-nitrocumyl phenyl sulfide

sodium p-thiocresolate

p-nitrocumyl azide

2-[2-(4'-nitrophenyl)propyl] phenyl sulfone