5-Acetyl Rhein

Base Information

• Chemical Name: 5-Acetyl Rhein
• CAS No.: 875535-35-6
• Molecular Formula: C17H10O7
• Molecular Weight: 326.262
• DSSTox Substance ID: DTXSID30433463
• Nikkaji Number: J3.291.690B
• Wikidata: Q82247615
• Mol file: 875535-35-6.mol

Synonyms:5-Acetyl Rhein;875535-35-6;5-acetyloxy-4-hydroxy-9,10-dioxoanthracene-2-carboxylic acid;5-acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid;DTXSID30433463;5-acetyloxy-4-hydroxy-9,10-dioxo-anthracene-2-carboxylic Acid;BCP32157;FT-0661355;A900045;Monoacerein (5-Acetyl Rhein);Diacerein EP Impurity D;1-Hydroxy-9,10-dihydro-9,10-dioxo-8-acetoxyanthracene-3-carboxylic acid;5-acetoxy-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicacid

Chemical Property of 5-Acetyl Rhein

Chemical Property:

• Melting Point: >244°C (dec.)
• PSA: 117.97000
• LogP: 1.79110
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 326.04265265
• Heavy Atom Count: 24
• Complexity: 584

Purity/Quality:

97% ^*data from raw suppliers

5-AcetylRhein ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3O)C(=O)O

Technology Process of 5-Acetyl Rhein

There total 1 articles about 5-Acetyl Rhein 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:

diacetylrhein (13739-02-1) → 1,8-dihydroxy-3-carboxy-anthraquinone (478-43-3) + C17H10O7 (875535-36-7) + monoacetylrhein (875535-35-6)

Guidance literature:

With hydroxypropyl-β-cyclodextrin; In aq. phosphate buffer; dimethyl sulfoxide; at 37 ℃; pH=7.2; Kinetics; Darkness;

DOI:10.1016/j.saa.2014.02.055

upstream raw materials:

diacetylrhein