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pregna-1,4,9(11)-triene-17α,21-diol-3,20-dione 21-acetate
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
Conditions | Yield |
---|---|
Stage #1: pregna-1,4,9(11)-triene-17α,21-diol-3,20-dione 21-acetate With pyridine; N-chloro-succinimide at -15℃; for 1h; Inert atmosphere; Stage #2: With sulfur dioxide at -10℃; for 0.5h; Inert atmosphere; | 98.8% |
prednisolone 21-acetate
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
Conditions | Yield |
---|---|
Stage #1: prednisolone 21-acetate With pyridine; N-chloro-succinimide at -15 - 20℃; for 0.416667h; Inert atmosphere; Stage #2: With sulfur dioxide for 1h; Inert atmosphere; | 83.5% |
prednisolone 21-acetate
A
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
B
pregna-1,4,9(11)-triene-17α,21-diol-3,20-dione 21-acetate
Conditions | Yield |
---|---|
With pyridine; thionyl chloride In N,N-dimethyl-formamide at 20℃; Reagent/catalyst; Temperature; | A 50% B n/a C n/a D n/a |
21-acetoxy-pregna-4,9(11),16-triene-3,20-dinone
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
Conditions | Yield |
---|---|
With selenium(IV) oxide; tert-butyl alcohol | |
With pyridine; selenium(IV) oxide In tert-butyl alcohol for 24h; Reflux; Inert atmosphere; | 25.27 g |
2,4,6-trimethyl-pyridine
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
prednisolon
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: thionyl chloride / tetrahydrofuran / 0.67 h / 0 °C / Inert atmosphere 1.2: 1.25 h / 5 - 20 °C 2.1: dmap / dichloromethane / 0.5 h / 20 °C / Inert atmosphere 3.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 3 h / 60 °C / Inert atmosphere View Scheme |
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dmap / dichloromethane / 0.5 h / 20 °C / Inert atmosphere 2: 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 3 h / 60 °C / Inert atmosphere View Scheme |
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 60℃; for 3h; Inert atmosphere; | 1.92 g |
With 1,8-diazabicyclo[5.4.0]undec-7-ene at 50℃; for 5h; Inert atmosphere; | 27.6 g |
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
Conditions | Yield |
---|---|
With potassium acetate; acetic acid In N,N-dimethyl-formamide at 105℃; for 5h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; Large scale; | 965 g |
androsta-1,4,9(11)-triene-3,17-dione
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: potassium hydroxide / tetrahydrofuran; acetone / 2 h / 0 - 40 °C / Inert atmosphere; Large scale 1.2: 15 h / -5 - 5 °C / Large scale 2.1: dmap; triethylamine / dichloromethane / 7 h / Inert atmosphere; Reflux; Large scale 3.1: N-Bromosuccinimide / acetone; tert-butyl alcohol / 2 h / 10 - 20 °C / Large scale 3.2: 1 h / 30 - 35 °C / Inert atmosphere; Large scale 4.1: potassium acetate; acetic acid / N,N-dimethyl-formamide / 5 h / 105 °C / Inert atmosphere; Large scale View Scheme |
Molecule structure of Pregna-1,4,9(11),16-tetraene-3,20-dione,21-(acetyloxy)- (CAS NO.37413-91-5):
Molecular Formula: C23H26O4
Molecular Weight: 366.46 g/mol
Index of Refraction: 1.585
Molar Refractivity: 101.394 cm3
Molar Volume: 302.712 cm3
Surface Tension: 48.058 dyne/cm
Density: 1.211 g/cm3
Flash Point: 233.008 °C
Enthalpy of Vaporization: 81.081 kJ/mol
Boiling Point: 534.568 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
EINECS of Pregna-1,4,9(11),16-tetraene-3,20-dione,21-(acetyloxy)- (CAS NO.37413-91-5): 253-497-3
Pregna-1,4,9(11),16-tetraene-3,20-dione,21-(acetyloxy)- (CAS NO.37413-91-5) is used for dexamethasone, betamethasone, triamcinolone intermediate.
Pregna-1,4,9(11),16-tetraene-3,20-dione,21-(acetyloxy)- (CAS NO.37413-91-5) is also named as 21-Hydroxypregna-1,4,9(11),16-tetraene-3,20-dione 21-acetate ; 3,20-dioxopregna-1,4,9(11),16-tetraen-21-yl acetate ; Pregna-1,4,9(11),16-tetraen-21-ol-3,20-dione 21-acetate ; 21-Acetoxypregna-1,4,9(11),16-tetrene-3,20-dione ; 3,20-Dioxopregna-1,4,9(11),16-tetrene-21-ol acetate .