1,8-Bis(acetyloxy)-3-[(acetyloxy)methyl]-9,10-anthracenedione

Base Information

Chemical Name:1,8-Bis(acetyloxy)-3-[(acetyloxy)methyl]-9,10-anthracenedione
CAS No.:25395-11-3
Molecular Formula:C21H16O8
Molecular Weight:396.353
Hs Code.:2915390090
DSSTox Substance ID:DTXSID50403188
Nikkaji Number:J486.162K
Wikidata:Q72466679
ChEMBL ID:CHEMBL42431
Mol file:25395-11-3.mol

Synonyms:25395-11-3;Triacetyl Aloe-emodin (Impurity A);1,8-BIS(ACETYLOXY)-3-[(ACETYLOXY)METHYL]-9,10-ANTHRACENEDIONE;(4,5-diacetyloxy-9,10-dioxoanthracen-2-yl)methyl acetate;3-Acetoxymethyl-1,8-diacetoxy-9,10-anthraquinone;3-(Acetoxymethyl)-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl diacetate;Diacerein EP Impurity H;CHEMBL42431;SCHEMBL8929967;DTXSID50403188;AKOS030240359;FT-0675372;J-015980;3-(Acetoxymethyl)-9,10-dioxo-9,10-dihydroanthracene-1,8-diyldiacetate;3-[(Acetyloxy)methyl]-9,10-dioxo-9,10-dihydroanthracene-1,8-diyl diacetate;Triacetyl Aloe Emodin;Aloe-emodin Impurity A;1,8-Diacetyloxy-3-(acetyloxymethyl)-9,10-anthracenedione;1,8-Bis(acetyloxy)-3-[(acetyloxy)methyl]-9,10-anthracenedione

Suppliers and Price of 1,8-Bis(acetyloxy)-3-[(acetyloxy)methyl]-9,10-anthracenedione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Triacetyl aloe-emodin
5mg
$ 460.00

TRC
TriacetylAloe-emodin(ImpurityA)
5mg
$ 135.00

Medical Isotopes, Inc.
TriacetylAloe-emodin(ImpurityA)
5 mg
$ 2200.00

Biosynth Carbosynth
Triacetyl aloe-emodin (impurity A)
5 mg
$ 225.00

Biosynth Carbosynth
Triacetyl aloe-emodin (impurity A)
2 mg
$ 120.00

Biosynth Carbosynth
Triacetyl aloe-emodin (impurity A)
1 mg
$ 80.00

Total 18 raw suppliers

Chemical Property of 1,8-Bis(acetyloxy)-3-[(acetyloxy)methyl]-9,10-anthracenedione

Chemical Property:

Vapor Pressure:1.96E-13mmHg at 25°C
Melting Point:175-177℃
Boiling Point:579.7oC at 760 mmHg
Flash Point:254.1oC
PSA：113.04000
Density:1.38g/cm3
LogP:2.37570
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), Methanol (Slightly, Heated)
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:396.08451746
Heavy Atom Count:29
Complexity:714

Purity/Quality:

99%, ^*data from raw suppliers

Triacetyl aloe-emodin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=C(C2=O)C=CC=C3OC(=O)C
Uses Aloe-emodin impurity A & Diacerein EP Impurity H. Aloe-emodin impurity A

Technology Process of 1,8-Bis(acetyloxy)-3-[(acetyloxy)methyl]-9,10-anthracenedione

There total 3 articles about 1,8-Bis(acetyloxy)-3-[(acetyloxy)methyl]-9,10-anthracenedione 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: 76.0%

: 481-72-1
1,8-dihydroxy-3-hydroxymethyl-9,10-anthracenedione

: 108-24-7
acetic anhydride

: 25395-11-3
triacetyl aloe-emodin

Guidance literature:: With pyridine; at 50 ℃; for 24h;
DOI:10.1016/j.bmc.2013.01.015

Reference yield:

: 18713-45-6
1,8-diacetoxy-3-methyl-anthraquinone

: 25395-11-3
triacetyl aloe-emodin

Guidance literature:: With tetrachloromethane; N-Bromosuccinimide; dibenzoyl peroxide; anschliessende Umsetzung mit Silberacetat in Acetanhydrid;