1-((4-(1,1-Dimethylethyl)phenyl)thio)-5-(phenylthio)anthraquinone

Base Information

• Chemical Name: 1-((4-(1,1-Dimethylethyl)phenyl)thio)-5-(phenylthio)anthraquinone
• CAS No.: 84674-65-7
• Molecular Formula: C₃₀H₂₄O₂S₂
• Molecular Weight: 480.651
• European Community (EC) Number: 283-530-7
• DSSTox Substance ID: DTXSID00233654
• Nikkaji Number: J333.078H
• Wikidata: Q83115269
• Mol file: 84674-65-7.mol

Synonyms:84674-65-7;EINECS 283-530-7;1-((4-(1,1-Dimethylethyl)phenyl)thio)-5-(phenylthio)anthraquinone;SCHEMBL10607396;DTXSID00233654;ICQYRMKYGAVTCP-UHFFFAOYSA-N;NS00038597

Chemical Property of 1-((4-(1,1-Dimethylethyl)phenyl)thio)-5-(phenylthio)anthraquinone

Chemical Property:

• Vapor Pressure: 1.37E-16mmHg at 25°C
• Boiling Point: 646.2°Cat760mmHg
• Flash Point: 264.3°C
• PSA: 84.74000
• Density: 1.3g/cm³
• LogP: 8.06190
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 480.12177235
• Heavy Atom Count: 34
• Complexity: 729

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5

Technology Process of 1-((4-(1,1-Dimethylethyl)phenyl)thio)-5-(phenylthio)anthraquinone

There total 1 articles about 1-((4-(1,1-Dimethylethyl)phenyl)thio)-5-(phenylthio)anthraquinone 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:

1,5-Dichloroanthraquinone (82-46-2) + thiophenol (108-98-5) + 4-t-butylbenzenethiol (2396-68-1) → 1-(4-tert-butyl-phenylsulfanyl)-5-phenylsulfanyl-anthraquinone (84674-65-7)

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 3h;

DOI:10.1246/bcsj.71.1719

upstream raw materials:

1,5-Dichloroanthraquinone

thiophenol

4-t-butylbenzenethiol