1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone

Base Information

• Chemical Name: 1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone
• CAS No.: 70063-65-9
• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.284
• NSC Number: 118615
• DSSTox Substance ID: DTXSID90990305

Synonyms:1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone;86668-63-5;8-hydroxy-9,10-dioxo-1,4,4a,9,9a,10-hexahydroanthracen-1-yl acetate;70063-65-9;(8-hydroxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl) acetate;NSC118615;Oprea1_318163;SCHEMBL7628574;7,3,4-TRIHYDROXYFLAVONE;DTXSID90990305;NSC-118615;FT-0642053

Chemical Property of 1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone

Chemical Property:

• Vapor Pressure: 1.95E-10mmHg at 25°C
• Boiling Point: 495.4°Cat760mmHg
• Flash Point: 187.5°C
• Density: 1.39g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 286.08412354
• Heavy Atom Count: 21
• Complexity: 509

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C=CCC2C1C(=O)C3=C(C2=O)C=CC=C3O

Technology Process of 1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone

There total 3 articles about 1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone 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-acetoxybuta-1,3-diene (1515-76-0,35694-19-0,35694-20-3) + 5-hydroxynaphtho-1,4-quinone (481-39-0) → 1-acetoxy-8-hydroxy-9,10-dioxo-1,4,4a,9,9a,10-hexahydroanthracene (70063-65-9) + 1-acetoxy-5-hydroxy-9,10-dioxo-1,4,4a,9,9a,10-hexahydroanthracene (70063-66-0)

Guidance literature:

In water; at 25 ℃; for 44h; Yield given. Title compound not separated from byproducts;

DOI:10.1016/0040-4039(88)85158-X

Reference yield:

→ 1-acetoxy-8-hydroxy-9,10-dioxo-1,4,4a,9,9a,10-hexahydroanthracene (70063-65-9)

Guidance literature:

Naphthochinon 9, Dien 10, BF3*Et2O;

DOI:10.1016/S0040-4039(01)95211-6

Reference yield:

→ 1-Hydroxy-8-acetoxy-1,1a,4,4a-tetrahydro-anthrachinon (70063-65-9,73794-49-7,86668-63-5,102419-31-8)

Guidance literature:

Juglonacetat, 1-Acetoxy-butadien-(1,3) (neben anderen Prod.);

upstream raw materials:

1-acetoxybuta-1,3-diene

5-hydroxynaphtho-1,4-quinone

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