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

Base Information

• Chemical Name: 1,3,5-Trimethoxy-2-[(4-nitrophenyl)sulfanyl]benzene
• CAS No.: 77189-95-8
• Molecular Formula: C15H15NO5S
• Molecular Weight: 321.354
• DSSTox Substance ID: DTXSID50508107
• Nikkaji Number: J3.099.304G
• Wikidata: Q82364815

Synonyms:77189-95-8;1,3,5-Trimethoxy-2-[(4-nitrophenyl)sulfanyl]benzene;DTXSID50508107

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

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 321.06709375
• Heavy Atom Count: 22
• Complexity: 342

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)SC2=CC=C(C=C2)[N+](=O)[O-])OC

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

There total 5 articles about 1,3,5-Trimethoxy-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: 98.0%

1,2,3-trimethoxybenzene (621-23-8) + para-nitrobenzenethiol (1849-36-1) → 1,3,5-trimethoxy-2-[(4-nitrophenyl)sulfanyl]benzene (77189-95-8)

Guidance literature:

1,2,3-trimethoxybenzene; para-nitrobenzenethiol; With TPGS-750-M; zinc(II) chloride; In water; for 0.00166667h; Inert atmosphere; Green chemistry;

With bis-[(trifluoroacetoxy)iodo]benzene; In water; at 60 ℃; for 24h; Inert atmosphere; Green chemistry;

DOI:10.1021/acs.joc.8b00435

Reference yield: 90.0%

1,2,3-trimethoxybenzene (621-23-8) + di(p-nitrophenyl) disulfide (100-32-3) → 1,3,5-trimethoxy-2-[(4-nitrophenyl)sulfanyl]benzene (77189-95-8)

Guidance literature:

With copper(l) iodide; oxygen; In N,N-dimethyl-formamide; at 120 ℃; for 24h;

DOI:10.1021/jo1014849

Reference yield: 89.0%

1,2,3-trimethoxybenzene (621-23-8) + 1-[(4-nitrophenyl)sulfanyl]pyrrolidine-2,5-dione (17796-89-3) → 1,3,5-trimethoxy-2-[(4-nitrophenyl)sulfanyl]benzene (77189-95-8)

Guidance literature:

With palladium diacetate; trifluoroacetic acid; at 20 ℃; for 4h;

DOI:10.1021/ol4036209

upstream raw materials:

Potassium 2,4,6-Trimethoxythiophenol

4-chlorobenzonitrile

1,2,3-trimethoxybenzene

di(p-nitrophenyl) disulfide

Downstream raw materials:

4-(2,4,6-Trimethoxy-benzenesulfonyl)-phenylamine

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

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