CAS No.125-10-0,Prednisone 21-acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	125-10-0
Name:	Prednisone 21-acetate
Article Data:	40

Formula:	C₂₃H₂₈O₆
Molecular Weight:	400.472
Synonyms:	Pregna-1,4-diene-3,11,20-trione,17,21-dihydroxy-, 21-acetate (6CI,7CI,8CI);21-Acetoxy-17a-hydroxypregna-1,4-diene-3,11,20-trione;Cortancyl;Delcortin;Delta-Corlin;Deltalone;Ferrosan;NSC 10965;Nisone;Prednisone acetate;D1-Cortisone 21-acetate;D1-Dehydrocortisone acetate;
EINECS:	204-726-0
Density:	1.28 g/cm³
Melting Point:	240-242°C (dec.)
Boiling Point:	582 °C at 760 mmHg
Flash Point:	200.2 °C
Solubility:	23mg/L(25 oC)
Hazard Symbols:	Xi
Risk Codes:	R20/21/22; R36/37/38
PSA:	97.74000
LogP:	2.33660

Synthetic route

: 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

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

: 125-10-0
prednisone acetate

Conditions

Conditions	Yield
With tert-Butyl peroxybenzoate Inert atmosphere; Reflux;	81%

: 50-04-4
Cortisone acetate

: 125-10-0
prednisone acetate

Conditions

Conditions	Yield
With selenium(IV) oxide
With periodic acid
With iodine pentoxide
With Arthrobacter simplex By-2-13	17 g

: 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;

21-acetoxy-17-hydroxy-5α(or β)-pregn-1-ene-3,11,20-trione: 21-acetoxy-17-hydroxy-5α(or β)-pregn-1-ene-3,11,20-trione

: 125-10-0
prednisone acetate

Conditions

Conditions	Yield
With selenium(IV) oxide
With iodine pentoxide; periodic acid

21-acetoxy-17-hydroxy-5α(or β)-pregnane-3,11,20-trione: 21-acetoxy-17-hydroxy-5α(or β)-pregnane-3,11,20-trione

: 125-10-0
prednisone acetate

Conditions

Conditions	Yield
With selenium(IV) oxide
With iodine pentoxide; periodic acid
Bromierung und Erhitzen mit 2,4,6-Trimethyl-pyridin;

: 53-03-2
Prednison

: 108-24-7
acetic anhydride

: 125-10-0
prednisone acetate

Conditions

Conditions	Yield
In pyridine

: 50-24-8
prednisolon

: 125-10-0
prednisone acetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridine 2: CrO3 View Scheme

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

: 125-10-0
prednisone acetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diacetoxyiodanyl-benzene 2: N-bromo-acetamide View Scheme

: 50-03-3
hydrocortisone acetate

: 125-10-0
prednisone acetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid; manganese(ll) chloride; chromium(VI) oxide / water; chloroform / 30 °C 2: Arthrobacter simplex By-2-13 View Scheme

Raw Materials

28449-43-6

53-03-2

50-04-4

52-21-1

108-24-7

50-24-8

Downstream Products

17652-24-3

3044-42-6

53-03-2

Total:151 Page 1 of 4 1 2 3 4 Next>>

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Specification

The Prednisone 21-acetate, with the CAS registry number 125-10-0, is also known as Prednisone acetate. It belongs to the product categories of Hormone; Biochemical Reagents; Biochemicals. Its EINECS registry number is 204-726-0. This chemical's molecular formula is C₂₃H₂₈O₆ and molecular weight is 400.46482. Its IUPAC name is called [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl]acetate. This chemical's classification codes are Hormone; Reproductive Effect. It is a kind of adrenal cortical hormone drug and has capabilities of anti-inflammatory, antiallergic. Besides that it is also used for biochemical studies. In addition, it is obtained from acetic acid cortisone via dehydrogenation of selenium dioxide.

Physical properties of Prednisone 21-acetate: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2.66; (3)ACD/LogD (pH 7.4): 2.66; (4)ACD/BCF (pH 5.5): 61.51; (5)ACD/BCF (pH 7.4): 61.51; (6)ACD/KOC (pH 5.5): 663.95; (7)ACD/KOC (pH 7.4): 663.94; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 103.66 cm³; (13)Molar Volume: 311.5 cm³; (14)Surface Tension: 54.3 dyne/cm; (15)Density: 1.28 g/cm³; (16)Flash Point: 200.2 °C; (17)Enthalpy of Vaporization: 99.92 kJ/mol; (18)Boiling Point: 582 °C at 760 mmHg; (19)Vapour Pressure: 5.69E-16 mmHg at 25°C.

Uses of Prednisone 21-acetate: it can be used to produce 21-acetoxy-1α,2α-epoxy-17α-hydroxy-4-pregnene-3,11,20-trione at temperature of 20 °C. This reaction will need reagent dimethyldioxirane and solvent acetone with reaction time of 20 hours. The yield is about 80%.

Prednisone 21-acetate can be used to produce 21-acetoxy-1α,2α-epoxy-17α-hydroxy-4-pregnene-3,11,20-trione

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)\C=C/[C@]1(C)[C@H]4C(=O)C[C@@]23C)C
(2)InChI: InChI=1/C23H28O6/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/h6,8,10,16-17,20,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1
(3)InChIKey: MOVRKLZUVNCBIP-RFZYENFJBM