Anthranol

Base Information

• Chemical Name: Anthranol
• CAS No.: 529-86-2
• Molecular Formula: C14H10O
• Molecular Weight: 194.233
• Hs Code.: 2906299090
• NSC Number: 39886
• UNII: 15PF96Z0OC
• DSSTox Substance ID: DTXSID50200952
• Nikkaji Number: J6.692C
• Wikidata: Q18467079
• Metabolomics Workbench ID: 52263
• Mol file: 529-86-2.mol

Synonyms:1,8 Dihydroxy 9 anthrone;1,8,9-Anthracenetriol;1,8-Dihydroxy-9(10H)-anthracenone;1,8-Dihydroxy-9-anthrone;Anthraforte;Anthralin;Anthranol;Cignolin;Cygnoline;Dihydroxyanthranol;Dithranol;Dithrocream;Ditranol FNA;FNA, Ditranol;Lasan;Micanol;Psoradrate;Psoricrème

Chemical Property of Anthranol

Chemical Property:

• Vapor Pressure: 4.02E-07mmHg at 25°C
• Melting Point: 120° (if bath is heated to 110°); mp 152° (if bath is cold at start)
• Refractive Index: 1.753
• Boiling Point: 404.5 °C at 760 mmHg
• PKA: 9.40±0.30(Predicted)
• Flash Point: 197.7 °C
• PSA: 20.23000
• Density: 1.244g/cm³
• LogP: 3.69860
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: 35.93mg/L(25 oC)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 194.073164938
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99%, ^*data from raw suppliers

9-HYDROXYANTHRACENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2O

Technology Process of Anthranol

There total 5 articles about Anthranol 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:

anthracene (120-12-7) → benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 9-anthrol (529-86-2) + 9,10-Dihydroxyanthracene (4981-66-2) + anthracen-9(10H)-one (90-44-8) + 9,10-dihydro-9,10-dihydroxyanthracene (58343-58-1) + 9,10-phenanthrenequinone (84-65-1) + benzaldehyde (100-52-7)

Guidance literature:

anthracene; With water; In acetone; for 2h; Darkness;

In acetone; for 6h; Irradiation;

DOI:10.1016/j.molcata.2010.03.029

Reference yield:

anthracene (120-12-7) → 9-anthrol (529-86-2) + 9,10-phenanthrenequinone (84-65-1)

Guidance literature:

With 5,10,15-tris(pentafluorophenyl)corrole iron(IV) chloride; dihydrogen peroxide; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; In dichloromethane; water; at 20 ℃; for 5h;

DOI:10.1016/j.catcom.2012.09.011

Reference yield:

4a-acetyl-1,4,4a,9,9a,10-hexahydro-9,10-o-benzenoanthracene-1,4-dione (79755-94-5) → 9-anthrol (529-86-2) + anthracen-9(10H)-one (90-44-8) + 9-anthracenyl trifluoroacetate (133512-49-9) + 2-acetyl-5,6-dichlorohydroquinone (79755-97-8)

Guidance literature:

With trifluoroacetic acid; for 1h; Ambient temperature;

DOI:10.1039/P19810002670

upstream raw materials:

9-nitroanthracene

4a-acetyl-1,4,4a,9,9a,10-hexahydro-9,10-o-benzenoanthracene-1,4-dione

trifluoroacetic acid

anthracene

Downstream raw materials:

anthrol bue

anthraquinone-mono-(4-nitro-phenylhydrazone)

10-p-Tolylazo-[9]anthrol

7H-benz[d,e]anthracene-7-one

Refernces

• 1、 Kou, Jiahui,Li, Zhaosheng,Guo, Yong,Gao, Jun,Yang, Ming,Zou, Zhigang. "Photocatalytic degradation of polycyclic aromatic hydrocarbons in GaN:ZnO solid solution-assisted process: Direct hole oxidation mechanism". experimental part. p. 48 - 54. Retrieved 2010/10/01.
• 2、 Beddoes, Roy L.,Bruce, J. Malcolm,Finch, Harry,Heelam, Leslie M. J.,Hunt, Ian D.,Mills, Owen S.. "Benzoquinones and Related Compounds. Part 4. Thermolysis of the Diels-Alder Adduct of 2-Acetyl-5,6-dichloro-1,4-benzoquinone and Cyclopentadiene: Evidence for a Partial Retro-diene Reaction". . p. 2670 - 2676. Retrieved 2007/10/02.