Fallacinal

Base Information

• Chemical Name: Fallacinal
• CAS No.: 4517-57-1
• Molecular Formula: C16H10O6
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID10196408
• Nikkaji Number: J13.641G
• Wikidata: Q83069465
• Mol file: 4517-57-1.mol

Synonyms:Fallacinal;Phallacinal;4517-57-1;4,5-dihydroxy-7-methoxy-9,10-dioxoanthracene-2-carbaldehyde;2-Anthraldehyde, 9,10-dihydro-4,5-dihydroxy-7-methoxy-9,10-dioxo-;2-Anthracenecarboxaldehyde, 9,10-dihydro-4,5-dihydroxy-7-methoxy-9,10-dioxo-;1,8-Dihydroxy-6-methoxy-9,10-dioxo-9,10-dihydroanthracene-3-carbaldehyde;SCHEMBL23198965;DTXSID10196408;CHEBI:144151

Chemical Property of Fallacinal

Chemical Property:

• PSA: 100.90000
• LogP: 1.69430
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 298.04773803
• Heavy Atom Count: 22
• Complexity: 489

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C=O

Technology Process of Fallacinal

There total 10 articles about Fallacinal 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: 72.0%

4,5,7-trimethoxy-9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde (132319-49-4) → 4,5-dihydroxy-7-methoxy-9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde (4517-57-1)

Guidance literature:

With hydrogen bromide; In water; acetic acid; at 110 ℃; for 6h; Inert atmosphere;

DOI:10.2174/1573406411309040008

Reference yield: 72.0%

1,8-dihydroxy-3-hydroxymethyl-6-methoxy-anthraquinone (569-05-1) → 4,5-dihydroxy-7-methoxy-9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde (4517-57-1)

Guidance literature:

With manganese(IV) oxide; In ethyl acetate; for 0.5h; Heating;

Reference yield:

physcion diacetate (25466-76-6) → 4,5-dihydroxy-7-methoxy-9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde (4517-57-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 84 percent / MnO₂ / ethyl acetate / 0.5 h / Heating

2: 95 percent / MnO₂ / ethyl acetate / 0.5 h / Heating

3: 92 percent / 1 percent NaOH / 0.5 h / 75 °C

4: 72 percent / MnO₂ / ethyl acetate / 0.5 h / Heating

With manganese(IV) oxide; sodium hydroxide; In ethyl acetate;

upstream raw materials:

1,8-dihydroxy-3-hydroxymethyl-6-methoxy-anthraquinone

physcion diacetate

1,8-Diacetoxy-3-acetoxymethyl-6-methoxyanthrachinon

1,8-Diacetoxy-3-brommethyl-6-methoxyanthrachinon