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Name	3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate	EINECS	253-497-3
CAS No.	37413-91-5	Density	1.211 g/cm³
PSA	60.44000	LogP	3.88290
Solubility	N/A	Melting Point	173-175°C
Formula	C₂₃H₂₆O₄	Boiling Point	534.568 °C at 760 mmHg
Molecular Weight	366.457	Flash Point	233.008 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1,4,9(11),16-Pregnatetraene-21-ol-3,20-Dione-21-Acetate(3TR);Pregna-1,4,9(11),16-tetraene-3,20-dione,21-hydroxy-, acetate (6CI,7CI);21-Acetoxypregna-1,4,9(11),16-tetraene-3,20-dione;Tetraene Acetate;	Article Data	15

3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate Synthetic route

: 4380-55-6
pregna-1,4,9(11)-triene-17α,21-diol-3,20-dione 21-acetate

: 37413-91-5
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

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%

: 52-21-1
prednisolone 21-acetate

: 37413-91-5
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

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%

: 52-21-1
prednisolone 21-acetate

A: 37413-91-5
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: 4380-55-6
pregna-1,4,9(11)-triene-17α,21-diol-3,20-dione 21-acetate

C: 2-((10S)-10,17-dimethyl-3-oxo-6,7,8,10,12,15,16,17-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

D: C46H54O11S

Conditions

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

: 23460-76-6
21-acetoxy-pregna-4,9(11),16-triene-3,20-dinone

: 37413-91-5
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

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

: 108-75-8
2,4,6-trimethyl-pyridine

21-acetoxy-2α-bromo-pregna-4,9(11),16-triene-3,20-dione: 21-acetoxy-2α-bromo-pregna-4,9(11),16-triene-3,20-dione

: 37413-91-5
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

: 50-24-8
prednisolon

: 37413-91-5
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

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

: C21H24O3

: 37413-91-5
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

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

: 18-hydroxypregnane-1,4,9(11),17-tetraene-3,19-dione-18-acetate

: 37413-91-5
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

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

: C23H27BrO4

: 37413-91-5
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

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

: 15375-21-0
androsta-1,4,9(11)-triene-3,17-dione

: 37413-91-5
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

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

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

3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate Chemical Properties

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

3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate Uses

Pregna-1,4,9(11),16-tetraene-3,20-dione,21-(acetyloxy)- (CAS NO.37413-91-5) is used for dexamethasone, betamethasone, triamcinolone intermediate.

3,20-Dioxopregna-1,4,9(11),16-tetraen-21-yl acetate Specification

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 .

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