Anthraquinone, 2-(phenylthio)-

Base Information

• Chemical Name: Anthraquinone, 2-(phenylthio)-
• CAS No.: 13354-40-0
• Molecular Formula: C₂₀H₁₂O₂S
• Molecular Weight: 316.38
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10158162
• Nikkaji Number: J55.281J
• Wikidata: Q83026321
• Mol file: 13354-40-0.mol

Synonyms:ANTHRAQUINONE, 2-(PHENYLTHIO)-;13354-40-0;2-Thiophenylanthraquinone;2-phenylsulfanylanthracene-9,10-dione;BRN 2508425;2-(phenylthio)anthracene-9,10-dione;4-08-00-02600 (Beilstein Handbook Reference);CBMicro_020784;2-(Phenylthio)anthraquinone;SCHEMBL1038715;DTXSID10158162;CCG-8529;9,10-Anthracenedione, 2-(phenylthio)-;LS-20709;BIM-0020773.P001

Chemical Property of Anthraquinone, 2-(phenylthio)-

Chemical Property:

• Vapor Pressure: 1.85E-11mmHg at 25°C
• Melting Point: 154 °C
• Boiling Point: 533.5°Cat760mmHg
• Flash Point: 236.5°C
• PSA: 59.44000
• Density: 1.37g/cm³
• LogP: 4.61320
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 316.05580079
• Heavy Atom Count: 23
• Complexity: 468

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Technology Process of Anthraquinone, 2-(phenylthio)-

There total 7 articles about Anthraquinone, 2-(phenylthio)- 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:

4'-(2-carboxybenzoyl)diphenyl sulfide (111664-51-8) → 2-phenylsulfanyl-anthraquinone (13354-40-0)

Guidance literature:

With zinc(II) chloride; at 270 ℃;

Reference yield:

2-mercaptoanthraquinone (13354-38-6) → 2-phenylsulfanyl-anthraquinone (13354-40-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl₂ / CHCl₃

2: AlCl₃ / Heating

With aluminium trichloride; chlorine; In chloroform;

Reference yield:

2,2'-disulfanediyl-di-anthraquinone (13354-36-4) → 2-phenylsulfanyl-anthraquinone (13354-40-0)

Guidance literature:

Multi-step reaction with 3 steps

1: glucose / aq. ethanol / Heating

2: Cl₂ / CHCl₃

3: AlCl₃ / Heating

With aluminium trichloride; D-glucose; chlorine; In ethanol; chloroform;

upstream raw materials:

2-chloroanthracene-9,10-dione

copper(I) thiophenolate

4'-(2-carboxybenzoyl)diphenyl sulfide

(E)-3-Ureido-but-2-enoic acid ethyl ester

Downstream raw materials:

2-benzenesulfonyl-anthraquinone

2-Phenylthio-9,10-diphenyl-9,10-dihydroxy-9,10-dihydro-anthracen