Prednisolone-21-acetate supplier

Name
Prednisolone-21-acetate
EINECS 200-134-1
CAS No. 52-21-1
Article Data35
CAS DataBase
Density 1.28 g/cm³
Solubility 11.6mg/L(25 oC)
Melting Point 240-244 °C
Formula C₂₃H₃₀O₆
Boiling Point 579.8 °C at 760 mmHg
Molecular Weight 402.488
Flash Point 198.4 °C
Transport Information UN 2811 6.1/PG 3
Appearance white crystalline powder
Safety 45-36/37/39-26-16
Risk Codes 25-34-11
Molecular Structure
Hazard Symbols T,C,F
Synonyms Supercortyl;Prednisolone acetate;Prednidoren;Predicort;Pred-Forte;Pregna-1,4-diene-3,20-dione,11b,17,21-trihydroxy-, 21-acetate(6CI,7CI,8CI);11b,17a,21-Trihydroxypregna-1,4-diene-3,20-dione21-acetate;21-Acetoxy-11b,17-dihydroxypregna-1,4-diene-3,20-dione;Cormalone;Deltilen;Econopred;Falcon (steroid);Inflanefran;Meticortelone acetate;NSC 10966;Pred Mild;
PSA 100.90000
LogP 2.12840

Synthetic route

: 50-24-8
prednisolon

: 108-24-7
acetic anhydride

: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
With dmap In N,N-dimethyl-formamide at 40℃; for 0.5h; Inert atmosphere;	99.8%
With pyridine	98%
With pyridine
With dmap at 60 - 65℃; for 6h; Time;	55.1 g
With sodium acetate In tetrahydrofuran; acetone at 40℃; for 3h; Reagent/catalyst; Inert atmosphere;

: 4224-31-1
21-acetoxy-9-bromo-11β,17-dihydroxy-pregna-1,4-diene-3,20-dione

: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
Stage #1: 21-acetoxy-9-bromo-11β,17-dihydroxy-pregna-1,4-diene-3,20-dione With chromium(VI) oxide; mercaptoacetic acid; zinc In dimethyl sulfoxide; acetone at 15 - 20℃; Stage #2: With hydrogenchloride In water for 1h; Stage #3: With sodium thiosulfate In water for 0.333333h; Reagent/catalyst;	92%

: 50-03-3
hydrocortisone acetate

A: 52-21-1
prednisolone 21-acetate

B: 120612-05-7
21,21'-diacetoxy-11β,17,11'β,17'-tetrahydroxy-2,2'-diselanediyl-bis-pregna-1,4-diene-3,20-dione

Conditions

Conditions	Yield
With selenium(IV) oxide; acetic acid

: 28449-43-6
21-acetoxy-11β-hydroxy-pregna-1,4,17(20)c-trien-3-one

: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene

21-acetoxy-1117β-dihydroxy-pregn-4-en-3,20-one: 21-acetoxy-1117β-dihydroxy-pregn-4-en-3,20-one

: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
With selenium(IV) oxide
With iodine pentoxide

21-acetoxy-2α,4β-dibromo-11β,17-dihydroxy-5pregnane-3,20-dione: 21-acetoxy-2α,4β-dibromo-11β,17-dihydroxy-5pregnane-3,20-dione

: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
With lithium carbonate; N,N-dimethyl-formamide; lithium bromide

: 24916-88-9
21-acetoxy-9-chloro-11β,17-dihydroxy-pregna-1,4-diene-3,20-dione

: 52-21-1
prednisolone 21-acetate

oxone: oxone

: 11β,17α-dihydroxy-20-phenoxypregna-1,4,20-trien-3-one

Oxone: Oxone

: 107-21-1
ethylene glycol

A: 50-24-8
prednisolon

B: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
With potassium hydroxide; sodium hydroxide In tetrahydrofuran; PO4; dichloromethane; water; acetone

...Expand

oxone: oxone

: 11β,17α-dihydroxy-20-phenoxypregna-1,4,20-trien-3-one

Oxone: Oxone

: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
With dmap; potassium hydroxide; sodium hydroxide; acetic anhydride; triethylamine In tetrahydrofuran; PO4; dichloromethane; water; acetone
With dmap; potassium hydroxide; sodium hydroxide; acetic anhydride; triethylamine In tetrahydrofuran; PO4; n-heptane; dichloromethane; water; acetone

...Expand

: 96580-08-4
21-acetoxy-11β,17-dihydroxy-pregna-1,4-diene-3,20-dione disemicarbazone

: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
Stage #1: 21-acetoxy-11β,17-dihydroxy-pregna-1,4-diene-3,20-dione disemicarbazone With hydrogenchloride In chloroform; water at 25 - 30℃; for 0.5h; Stage #2: With sodium nitrite In chloroform; water at 18 - 22℃; for 6h;	19.5 g

: 125-10-0
prednisone acetate

: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
Stage #1: prednisone acetate With sodium acetate; acetic anhydride; acetic acid In acetone for 4h; Reflux; Stage #2: With hydrogenchloride In chloroform; water at 25 - 30℃; for 0.5h; Stage #3: With sodium nitrite In chloroform; water at 18 - 22℃; for 3h; Reagent/catalyst;	21.8 g

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

: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sulfuric acid / acetone; water / 0.5 h / 0 - 5 °C 1.2: 0 - 5 °C 2.1: zinc; chromium(VI) oxide; mercaptoacetic acid / acetone; dimethyl sulfoxide / 15 - 20 °C 2.2: 1 h 2.3: 0.33 h View Scheme

: 10184-69-7
(10S,13S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one

: 52-21-1
prednisolone 21-acetate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: dmap / chloroform / 0.17 h 1.2: 10 - 20 °C 2.1: sulfuric acid / acetone; water / 0.5 h / 0 - 5 °C 2.2: 0 - 5 °C 3.1: zinc; chromium(VI) oxide; mercaptoacetic acid / acetone; dimethyl sulfoxide / 15 - 20 °C 3.2: 1 h 3.3: 0.33 h View Scheme

: 67-56-1
methanol

: 52-21-1
prednisolone 21-acetate

A: 50-24-8
prednisolon

B: 79-20-9
acetic acid methyl ester

Conditions

Conditions	Yield
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution;	A n/a B 100%

...Expand

: 52-21-1
prednisolone 21-acetate

: 125-10-0
prednisone acetate

Conditions

Conditions	Yield
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In N,N-dimethyl-formamide at 23 - 25℃; for 5h;	99%
With 1-hydroxy-1.oxo-1H-1λ5-benzo[d][1,2]iodoxol-3-one pyridinium salt In N,N-dimethyl-formamide at 24 - 28℃; for 4h;	97%
With N-bromoacetamide
With chromium(VI) oxide

: 52-21-1
prednisolone 21-acetate

: 50-24-8
prednisolon

Conditions

Conditions	Yield
With water; potassium carbonate; sodium hydroxide In methanol at 0 - 10℃; for 2h; Inert atmosphere;	92.5%
With methanol; triethylamine for 14h; Ambient temperature;	49%
With potassium hydroxide
Stage #1: prednisolone 21-acetate With water; sodium hydroxide In methanol; dichloromethane at 0 - 30℃; for 2.5h; Inert atmosphere; Stage #2: With acetic acid In methanol; dichloromethane at -12 - -5℃; for 1h; pH=6 - 7; Reagent/catalyst; Reflux;	15.8 g

: 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

: 73454-02-1
lumiprednisolone 21-acetate

Conditions

Conditions	Yield
In 1,4-dioxane for 3.5h; Irradiation;	78%

: 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

...Expand

: 52-21-1
prednisolone 21-acetate

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

Conditions

Conditions	Yield
With N,N'-Thionyldiimidazole In tetrahydrofuran for 0.5h; Ambient temperature;	41%
With pyridine; methanesulfonyl chloride

: 52-21-1
prednisolone 21-acetate

A: 73398-00-2
Acetic acid 2-oxo-2-((3R,3aS,5S,5aR,6S,6aR,11aS,11bS)-3,5,6-trihydroxy-3a,6-dimethyl-8-oxo-2,3,3a,4,5,5a,6,6a,7,8,10,11,11a,11b-tetradecahydro-1H-indeno[5,4-f]azulen-3-yl)-ethyl ester

B: 73398-10-4
Acetic acid 2-((3aS,4aS,5aS,6R,8aS,8bS,10bS,10cS)-6-hydroxy-5a,10b-dimethyl-3-oxo-3,3a,4a,5,5a,6,7,8,8a,8b,9,10,10b,10c-tetradecahydro-2H-4-oxa-dicyclopenta[a,def]phenanthren-6-yl)-2-oxo-ethyl ester

C: 73398-05-7
C23H32O7

Conditions

Conditions	Yield
In acetic acid for 2.5h; Irradiation;	A 20.1% B 38.5% C 19.2%

...Expand

: 52-21-1
prednisolone 21-acetate

: 134526-05-9
Acetic acid 2-oxo-2-((6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-ethyl ester

Conditions

Conditions	Yield
With selenium(IV) oxide In 1,4-dioxane at 110℃; for 28h;	21.5%

: 186581-53-3, 908094-01-9
diazomethane

: 52-21-1
prednisolone 21-acetate

: 102958-04-3
20,21-epoxy-11β,17,22-trihydroxy-23,24-dinor-20ξH-chola-1,4-dien-3-one

Conditions

Conditions	Yield
With methanol; diethyl ether

: 52-21-1
prednisolone 21-acetate

: 112441-85-7
21-acetoxy-11β,17-dihydroxy-pregna-1,5-diene-3,20-dione

Conditions

Conditions	Yield
With 1,4-dioxane; bromine; acetic acid Erwaermen des Reaktionsprodukts mit Zink und wss.Aethanol;

: 52-21-1
prednisolone 21-acetate

: 115231-00-0
21-acetoxy-1α,5-disulfanediyl-11β,17-dihydroxy-5α-pregnane-3,20-dione

Conditions

Conditions	Yield
With pyridine; hydrogen sulfide; sulfur

: 52-21-1
prednisolone 21-acetate

: 122-52-1
triethyl phosphite

: 14413-10-6
O21-Acetyl-1-diaethoxyphosphinyl-hydrocortisol

Conditions

Conditions	Yield
With phenol

: 52-21-1
prednisolone 21-acetate

A: 898-84-0
(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

B: 125-10-0
prednisone acetate

Conditions

Conditions	Yield
Product distribution; Rate constant; Irradiation; radiolytic degradation;

: 52-21-1
prednisolone 21-acetate

: 96346-38-2
(20R)-21-acetoxy-11β,17,20-trihydroxy-3-oxo-1,4-pregnadiene

Conditions

Conditions	Yield
With sodium tetrahydroborate In N,N-dimethyl-formamide for 3h; Ambient temperature;	235 mg

: 52-21-1
prednisolone 21-acetate

: 71826-43-2
Acetic acid 2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-thioxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl ester

Conditions

Conditions	Yield
With pyridine; tetraphosphorus decasulfide

: 52-21-1
prednisolone 21-acetate

: 11α-Hydroxy-1-methoxy-4-methyl-oestra-1,3,5(10)-trien-17-on

Conditions

Conditions	Yield
Multistep reaction;

: 52-21-1
prednisolone 21-acetate

: 108-24-7
acetic anhydride

: 53771-09-8
11β-Acetoxy-1.17.21-trihydroxy-4-methyl-19-nor-pregna-1.3.5(10)-trien-20-on

Conditions

Conditions	Yield
(i) aq. HClO4, (ii) NaOMe, aq. AcOH; Multistep reaction;

: 52-21-1
prednisolone 21-acetate

: 108-24-7
acetic anhydride

: 1.11β.17.21-Tetraacetoxy-4-methyl-19-nor-pregna-1.3.5(10)-trien-20-on

Conditions

Conditions	Yield
With perchloric acid

: 52-21-1
prednisolone 21-acetate

: 102378-22-3
21-acetoxy-17-hydroxy-5,11-dioxo-de-A-pregnane-10aα-carbaldehyde

Conditions

Conditions	Yield
(i) O3, AcOEt, (ii) H2O; Multistep reaction;

: 52-21-1
prednisolone 21-acetate

: 1178-19-4
4α,5α,11β,17α,21-Pentahydroxy-pregn-1-en-3,20-dion-21-acetat

Conditions

Conditions	Yield
(i) OsO4, Py, (ii) H2S, dioxane, CHCl3; Multistep reaction;

: 52-21-1
prednisolone 21-acetate

: Acetic acid 2-{(1R,3aS,4S,5S,6aS)-5-formyl-1-hydroxy-4-[2-(5-hydroxy-2-methyl-phenyl)-ethyl]-6a-methyl-octahydro-pentalen-1-yl}-2-oxo-ethyl ester

Conditions

Conditions	Yield
(i) POCl3, THF, (ii) (enzymatic hydrolysis); Multistep reaction;

: 52-21-1
prednisolone 21-acetate

: Phosphoric acid mono-(3-{2-[(1S,2S,3aS,4R,6aS)-2-formyl-4-hydroxy-4-(2-hydroxy-acetyl)-3a-methyl-octahydro-pentalen-1-yl]-ethyl}-4-methyl-phenyl) ester

Conditions

Conditions	Yield
(i) POCl3, THF, (ii) aq. K2CO3, MeOH; Multistep reaction;

: 52-21-1
prednisolone 21-acetate

: 1255-33-0
1α.2α.11β.17α.21-Pentahydroxy-pregn-4-en-3.20-dion-21-acetat

Conditions

Conditions	Yield
(i) OsO4, Py, (ii) H2S, dioxane, CHCl3; Multistep reaction;

: 52-21-1
prednisolone 21-acetate

: Acetic acid 2-{(1R,3aS,4S,5S,6aS)-5-formyl-1-hydroxy-6a-methyl-4-[2-(2-methyl-5-phosphonooxy-phenyl)-ethyl]-octahydro-pentalen-1-yl}-2-oxo-ethyl ester

Conditions

Conditions	Yield
(i) POCl3, THF, (ii) aq. NaOH, MeOH; Multistep reaction;

Prednisolone-21-acetate Chemical Properties

Product Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Empirical Formula: C₂₃H₃₀O₆
Molecular Weight: 402.4807
EINECS: 200-134-1
Index of Refraction: 1.587
Density: 1.28 g/cm³
Flash Point: 198.4 °C
Melting point: 240-244 °C
Appearance: white crystalline powder
Enthalpy of Vaporization: 99.6 kJ/mol
Boiling Point: 579.8 °C at 760 mmHg
Vapour Pressure: 7.36E-16 mmHg at 25 °C
Structure of Prednisolone-21-acetate (CAS NO.52-21-1):

Product Category of Prednisolone-21-acetate (CAS NO.52-21-1): Biochemistry;Hydroxyketosteroids;Steroids

Prednisolone-21-acetate Uses

Prednisolone-21-acetate (CAS NO.52-21-1) can be applied to rheumatoid arthritis, rheumatic fever, lupus, scleroderma, dermatomyositis, acute lymphatic leukemia, and so on.

Prednisolone-21-acetate Toxicity Data With Reference

1.	scu-mus TDLo:96 mg/kg (11D preg):TER	SEIJBO Senten Ijo. Congenital Anomalies. 13 (1973),245.
2.	orl-rat TDLo:1800 mg/kg (2-19D preg):REP	FESTAS Fertility and Sterility. 22 (1971),735.
3.	scu-mus LD50:3500 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),713.

Prednisolone-21-acetate Safety Profile

Moderately toxic by subcutaneous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes of Prednisolone-21-acetate (CAS NO.52-21-1): Toxic T, Corrosive C,F
Risk Statements: 25-34-11
R11:Highly flammable.
R25 :Toxic if swallowed.
R34:Causes burns.
Safety Statements: 45-36/37/39-26-16
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

Prednisolone-21-acetate Specification

Prednisolone-21-acetate , its cas register number is 52-21-1. It also can be called Blephamide liquifilm ; Prednisolone acetate ; and 11b,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-acetate .

Product Name

Prednisolone-21-acetate

Synthetic route

Prednisolone-21-acetate Chemical Properties

Prednisolone-21-acetate Uses

Prednisolone-21-acetate Toxicity Data With Reference

Prednisolone-21-acetate Safety Profile

Prednisolone-21-acetate Specification

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