1,3,5-Trimethyl-2-[(4-nitrophenyl)sulfanyl]benzene

Base Information

• Chemical Name: 1,3,5-Trimethyl-2-[(4-nitrophenyl)sulfanyl]benzene
• CAS No.: 77189-94-7
• Molecular Formula: C15H15NO2S
• Molecular Weight: 273.356
• DSSTox Substance ID: DTXSID90508106
• Wikidata: Q82364813

Synonyms:77189-94-7;1,3,5-Trimethyl-2-[(4-nitrophenyl)sulfanyl]benzene;DTXSID90508106

Chemical Property of 1,3,5-Trimethyl-2-[(4-nitrophenyl)sulfanyl]benzene

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 273.08234989
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)SC2=CC=C(C=C2)[N+](=O)[O-])C

Technology Process of 1,3,5-Trimethyl-2-[(4-nitrophenyl)sulfanyl]benzene

There total 4 articles about 1,3,5-Trimethyl-2-[(4-nitrophenyl)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: 80.0%

potassium 2,4,6-trimethylbenzenethiolate (77190-02-4) + 4-chlorobenzonitrile (100-00-5) → 4-nitrophenyl 2',4',6'-trimethylphenyl sulfide (77189-94-7)

Guidance literature:

In ethanol; for 0.5h; Heating;

DOI:10.1021/jo00326a040

Reference yield: 80.0%

para-nitrobenzenethiol (1849-36-1) + 1,3,5-trimethyl-benzene (108-67-8) → 4-nitrophenyl 2',4',6'-trimethylphenyl sulfide (77189-94-7)

Guidance literature:

With [bis(acetoxy)iodo]benzene; at 20 ℃; for 0.5h;

DOI:10.1002/adsc.201801510

Reference yield: 57.0%

C10H12NO2S(1+)*BF4(1-) + 1,3,5-trimethyl-benzene (108-67-8) → 4-nitrophenyl 2',4',6'-trimethylphenyl sulfide (77189-94-7) + 2-[1,1-Dimethyl-2-(4-nitro-phenylsulfanyl)-ethyl]-1,3,5-trimethyl-benzene

Guidance literature:

DOI:10.1007/BF01167775

upstream raw materials:

potassium 2,4,6-trimethylbenzenethiolate

4-chlorobenzonitrile

1,3,5-trimethyl-benzene

para-nitrobenzenethiol

Downstream raw materials:

2',4',6'-Trimethyl-4-aminodiphenylsulfon

4-nitrophenyl 2',4',6'-trimethylphenyl sulfone

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