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Cas Database

Name	Cortisone acetate	EINECS	200-006-5
CAS No.	50-04-4	Density	1.28 g/cm³
PSA	97.74000	LogP	2.56060
Solubility	19mg/L(25 oC)	Melting Point	237-240 °C(lit.)
Formula	C₂₃H₃₀O₆	Boiling Point	567.8 °C at 760 mmHg
Molecular Weight	402.488	Flash Point	311.2 °C
Transport Information	N/A	Appearance	solid
Safety	22-36/37	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Cortisone-21-acetate;21-Acetoxypregnen-17a-ol-3,11,20-trione;	Article Data	50

Cortisone acetate Synthetic route

: 7753-60-8
anecortave

: 50-04-4
Cortisone acetate

Conditions

Conditions	Yield
Stage #1: anecortave With tetrafluoroboric acid In dichloromethane; acetone at -5 - 0℃; for 5h; Inert atmosphere; Stage #2: With Jones reagent In dichloromethane; acetone at 0 - 5℃; for 4h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	95.8%

: Acetic acid 2-hydroxy-2-((8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethyl ester

: 50-04-4
Cortisone acetate

Conditions

Conditions	Yield
With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide at 50℃; for 3h;	93%

: hydrocortisone acetate

: 50-04-4
Cortisone acetate

Conditions

Conditions	Yield
With [2,2]bipyridinyl; trimethylsilyl trifluoromethanesulfonate; bis(acetoxy)iodylbenzene In dichloromethane at 20℃; for 0.5h;	93%

: 50733-54-5
21-acetoxy-9-bromo-11β,17-dihydroxy-pregn-4-ene-3,20-dione

: 50-04-4
Cortisone acetate

Conditions

Conditions	Yield
With di-tert-butyl peroxide In tetrahydrofuran Inert atmosphere; Reflux;	90%

: C23H29BrO6

: 50-04-4
Cortisone acetate

Conditions

Conditions	Yield
With acetic acid; zinc In dichloromethane at 10℃; for 3h; Temperature;	79.5%

: 50-03-3
hydrocortisone acetate

: 50-04-4
Cortisone acetate

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid
With pyridine; magnesium sulfate; pyridinium chlorochromate at 0 - 25℃; for 12h;
With chromium(VI) oxide; acetic acid; manganese(ll) chloride In chloroform; water at 30℃; Solvent; Reagent/catalyst; Temperature;	19.2 g

: 1499-59-8
21-acetoxy-17-hydroxy-5β-pregnane-3,11,20-trione

: 50-04-4
Cortisone acetate

Conditions

Conditions	Yield
With bromine durch aufeinanderfolgende Umsetzung mit Semicarbazid und mit Brenztraubensaeure;

: 988-16-9
21-acetoxy-3,3-ethanediyldioxy-17-hydroxy-pregn-5-ene-11,20-dione

: 50-04-4
Cortisone acetate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid

: 50-03-3
hydrocortisone acetate

A: 382-44-5
(8S,9S,10R,11S,13S,14S)-11-Hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione

B: 50-04-4
Cortisone acetate

Conditions

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

21-acetoxy-11α,17-dihydroxy-pregn-4-ene-3,20-dione: 21-acetoxy-11α,17-dihydroxy-pregn-4-ene-3,20-dione

: 50-04-4
Cortisone acetate

Conditions

Conditions	Yield
With chromium(VI) oxide

Cortisone acetate Specification

The Cortisone acetate is an organic compound with the formula C₂₃H₃₀O₆. The systematic name of this chemical is 17-hydroxy-3,11,20-trioxopregn-4-en-21-yl acetate. With the CAS registry number 50-04-4, it is also named as 2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl acetate. The product's categories are Biochemistry; Hydroxyketosteroids; Steroids. Besides, it should be stored in a closed and dark place. It has been used for prednisone acetate intermediate. As anti-inflammatory agent, it can be used for the treatment of adrenal cortical function with low disease, rheumatoid arthritis, rheumatism, lupus and other diseases.

Physical properties about Cortisone acetate are: (1)ACD/LogP: 2.53; (2)ACD/LogD (pH 5.5): 2.53; (3)ACD/LogD (pH 7.4): 2.53; (4)ACD/BCF (pH 5.5): 48.95; (5)ACD/BCF (pH 7.4): 48.95; (6)ACD/KOC (pH 5.5): 563.79; (7)ACD/KOC (pH 7.4): 563.78; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 86.74 Å²; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 103.75 cm³; (14)Molar Volume: 318.1 cm³; (15)Polarizability: 41.13×10^-24cm³; (16)Surface Tension: 52.8 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 197.3 °C; (19)Enthalpy of Vaporization: 99.24 kJ/mol; (20)Boiling Point: 577.3 °C at 760 mmHg; (21)Vapour Pressure: 9.94E-16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
When you are using it, wear suitable protective clothing and gloves and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C)C
(2)InChI: InChI=1/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
(3)InChIKey: ITRJWOMZKQRYTA-RFZYENFJBQ
(4)Std. InChI: InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
(5)Std. InChIKey: ITRJWOMZKQRYTA-RFZYENFJSA-N

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