Aloe emodin w-acetate

Base Information

• Chemical Name: Aloe emodin w-acetate
• CAS No.: 65615-58-9
• Molecular Formula: C17H12O6
• Molecular Weight: 312.279
• DSSTox Substance ID: DTXSID50439760
• Nikkaji Number: J385.007B
• Wikidata: Q82255826
• Metabolomics Workbench ID: 46277
• ChEMBL ID: CHEMBL3104736

Synonyms:Aloe emodin w-acetate;65615-58-9;11-O-acetyl-aloe-emodin;CHEMBL3104736;DTXSID50439760;CHEBI:174246;9,10-Anthracenedione, 3-[(acetyloxy)methyl]-1,8-dihydroxy-;BDBM150754;(4,5-DIHYDROXY-9,10-DIOXOANTHRACEN-2-YL)METHYL ACETATE;3-(Acetoxymethyl)-1,8-dihydroxyanthraquinone;4,5-Dihydroxy-2-(acetoxymethyl)anthracene-9,10-dione;3-[(acetyloxy)methyl]-1,8-dihydroxy-anthracene-9,10-dione (B1);(4,5-DIHYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL)METHYL ACETATE

Chemical Property of Aloe emodin w-acetate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 312.06338810
• Heavy Atom Count: 23
• Complexity: 515

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O

Technology Process of Aloe emodin w-acetate

There total 1 articles about Aloe emodin w-acetate 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: 25.0%

1,8-dihydroxy-3-hydroxymethyl-9,10-anthracenedione (481-72-1) + acetic acid (64-19-7,77671-22-8) → Chrysophanol (481-74-3) + (1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-3-yl)methyl acetate (65615-58-9)

Guidance literature:

With tin(ll) chloride; In hydrogenchloride; at 120 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.08.154

Reference yield: 100.0%

(1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-3-yl)methyl acetate (65615-58-9) → 1,8-dihydroxy-3-hydroxymethyl-9,10-anthracenedione (481-72-1)

Guidance literature:

With potassium hydroxide; In ethanol; for 0.166667h; Heating;

DOI:10.1021/jo00201a033

upstream raw materials:

1,8-dihydroxy-3-hydroxymethyl-9,10-anthracenedione

acetic acid

Downstream raw materials:

1,8-dihydroxy-3-hydroxymethyl-9,10-anthracenedione

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