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Name |
Diacerein |
EINECS | 237-310-2 |
CAS No. | 13739-02-1 | Density | 1.491 g/cm3 |
PSA | 124.04000 | LogP | 2.01080 |
Solubility | 240μg/L at 25℃ | Melting Point |
217-218 °C |
Formula | C19H12O8 | Boiling Point | 631.5 °C at 760 mmHg |
Molecular Weight | 368.299 | Flash Point | 231.8 °C |
Transport Information | N/A | Appearance | yellow crystalline solid |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Anthracenecarboxylic acid, 4,5-bis(acetyloxy)-9,10-dihydro-9,10-dioxo- (9CI);4,5-diacetyloxy-9,10-dioxo-anthracene-2-carboxylic acid;4,5-Bis(acetyloxy)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic acid;Fisiodar;9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid diacetate;Diacereine [French];Artrodar;9,10-Dihydro-4,5-diacetoxy-9,10-2-anthracenecarboxylic acid; |
Article Data | 35 |
Conditions | Yield |
---|---|
With pyridine; dmap | 100% |
With dmap; triethylamine In acetic anhydride at 20℃; for 1h; | 95% |
With pyridine at 120℃; for 6h; | 93% |
diacetylrhein
Conditions | Yield |
---|---|
With sodium chlorite; sodium dihydrogenphosphate dihydrate; water In dimethyl sulfoxide; acetone for 9h; | 54.6% |
With chromium trioxide-pyridine complex In pyridine at 0 - 5℃; for 6h; Oxidation; | 5 mg |
1,8-diacetoxy-3-methyl-anthraquinone
acetic anhydride
acetic acid
diacetylrhein
diacetylrhein
Conditions | Yield |
---|---|
With chromium(VI) oxide; acetic anhydride; acetic acid |
1,8,9-triacetoxy-3-methyl-anthracene
acetic anhydride
acetic acid
diacetylrhein
diacetylrhein
Conditions | Yield |
---|---|
With acetic anhydride; chromic acid; acetic acid |
(2,4-dibromo-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone
diacetylrhein
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1: 87 percent / K2CO3 / dimethylformamide / 12 h / 80 °C 2: 92 percent / Et3N; (dppf)PdCl2; dppf / dimethylformamide / 18 h / 80 °C / 750.06 Torr 3: KOH / methanol / 48 h / 60 °C 4: 414 mg / H2 / Pd/C / ethanol / 12 h / 20 °C / 750.06 Torr 5: 50 percent / AlCl3; NaCl / 2 h / 150 °C 6: 75 percent / Et3N / 1 h / 20 °C View Scheme |
5-hydroxy-4-(2-hydroxybenzoyl)isophthalic acid
diacetylrhein
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 50 percent / AlCl3; NaCl / 2 h / 150 °C 2: 75 percent / Et3N / 1 h / 20 °C View Scheme |
(2-benzyloxy-4,6-dibromophenyl)-(2-benzyloxyphenyl)methanone
diacetylrhein
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: 92 percent / Et3N; (dppf)PdCl2; dppf / dimethylformamide / 18 h / 80 °C / 750.06 Torr 2: KOH / methanol / 48 h / 60 °C 3: 414 mg / H2 / Pd/C / ethanol / 12 h / 20 °C / 750.06 Torr 4: 50 percent / AlCl3; NaCl / 2 h / 150 °C 5: 75 percent / Et3N / 1 h / 20 °C View Scheme |
5-benzyloxy-4-(2-benzyloxybenzoyl)isophthalic acid dimethyl ester
diacetylrhein
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: KOH / methanol / 48 h / 60 °C 2: 414 mg / H2 / Pd/C / ethanol / 12 h / 20 °C / 750.06 Torr 3: 50 percent / AlCl3; NaCl / 2 h / 150 °C 4: 75 percent / Et3N / 1 h / 20 °C View Scheme |
Molecular structure of Diacerein (CAS NO.13739-02-1) is:
Product Name: Diacerein
CAS Registry Number: 13739-02-1
IUPAC Name: 4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid
Molecular Weight: 368.29378 [g/mol]
Molecular Formula: C19H12O8
XLogP3-AA: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 8
EINECS: 237-310-2
Melting Point: 217-218 °C
Surface Tension: 65.7 dyne/cm
Density: 1.491 g/cm3
Flash Point: 231.8 °C
Enthalpy of Vaporization: 98.15 kJ/mol
Boiling Point: 631.5 °C at 760 mmHg
Vapour Pressure: 8.17E-17 mmHg at 25°C
Product Categories: Miscellaneous Biochemicals;Aromatics Compounds;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
Diacerein (CAS NO.13739-02-1) is a drug used in the treatment of osteoarthritis.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany : 3
RTECS: CB8781000
Diacerein , its cas register number is 13739-02-1. It also can be called 2-Anthracenecarboxylic acid, 4,5-bis(acetyloxy)-9,10-dihydro-9,10-dioxo- (9CI) ; 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-, diacetate ; 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid, diacetate ; Diacerein [INN] ; Diacetylrhein ; 1,8-Diacetoxyanthraquinone-3-carboxylic acid ; 4,5-Diacetoxy-9,10-dihydro-9,10-dioxo-2-anthrylcarbonsaeure . It is a yellow crystalline solid.