Basic Information | Post buying leads | Suppliers |
Name |
21-Deoxycortisone |
EINECS | 217-541-5 |
CAS No. | 1882-82-2 | Density | 1.217 g/cm3 |
PSA | 71.44000 | LogP | 3.01740 |
Solubility | N/A | Melting Point |
236-239 °C |
Formula | C21H28O4 | Boiling Point | 524.571 °C at 760 mmHg |
Molecular Weight | 344.451 | Flash Point | 285.129 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
17α-Hydroxy-11-oxoprogesterone;17α-Hydroxypregn-4-ene-3,11,20-trione;21-Deoxycortisone;4-Pregnene-17α-ol-3,11,20-trione;6-Pregn-4-en-17α-ol-3,11,20-trione;NSC 38722; |
Conditions | Yield |
---|---|
With mercaptoacetic acid In N,N-dimethyl-formamide for 0.25h; Ambient temperature; | 99.7% |
Conditions | Yield |
---|---|
With Jones reagent In butanone at 0 - 9℃; for 2h; Solvent; | 98.2% |
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 methanesulfonate
17-hydroxy-pregn-4-ene-3,11,20-trione
Conditions | Yield |
---|---|
With sodium iodide; zinc In 1,2-dimethoxyethane; water for 5h; Heating; | 89% |
17,21-dihydroxy-pregn-4-ene-3,11,20-trione
17-hydroxy-pregn-4-ene-3,11,20-trione
Conditions | Yield |
---|---|
With pyridine; p-toluenesulfonyl chloride Erwaermen des Reaktionsprodukts mit NaI und Essigsaeure; | |
With pyridine; methanesulfonyl chloride Erwaermen des Reaktionsprodukts mit NaI und Essigsaeure; |
Conditions | Yield |
---|---|
With chromium(VI) oxide; acetic acid | |
With pyridine; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; O-phenyl phosphorodichloridate In dimethyl sulfoxide; 1,2-dichloro-ethane at 0℃; for 3.5h; | 9.7 g |
With N-chloro-succinimide In chloroform; dimethyl sulfoxide at -30℃; Temperature; Reagent/catalyst; | 9.07 g |
3β,11α,17-trihydroxy-pregn-5-en-20-one
17-hydroxy-pregn-4-ene-3,11,20-trione
Conditions | Yield |
---|---|
With chromium(VI) oxide; sulfuric acid; acetone Isomerisierung des Reaktionsprodukts mit HCl und Essigsaeure; |
4β-chloro-17-hydroxy-5β-pregnane-3,11,20-trione
17-hydroxy-pregn-4-ene-3,11,20-trione
Conditions | Yield |
---|---|
With semicarbazide hydrochloride; sodium acetate Behandeln anschliessend mit Brenztraubensaeure; |
4β-bromo-17-hydroxy-5β-pregnane-3,11,20-trione
17-hydroxy-pregn-4-ene-3,11,20-trione
Conditions | Yield |
---|---|
With pyridine |
17-hydroxy-5β-pregnane-3,11,20-trione
17-hydroxy-pregn-4-ene-3,11,20-trione
Conditions | Yield |
---|---|
With bromine Erhitzen des Reaktionsprodukts mit Pyridin; | |
Multi-step reaction with 2 steps 1: acetic acid; bromine 2: pyridine View Scheme |
17-hydroxy-pregn-4-ene-3,11,20-trione
Conditions | Yield |
---|---|
With ethanol; nickel |
The 21-Deoxycortisone, with the CAS registry number 1882-82-2, is also known as 4-Pregnene-17α-ol-3,11,20-trione. It belongs to the product categories of Steroids; Steroids & Hormones - 13C & 2H; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. Its EINECS number is 217-541-5. This chemical's molecular formula is C21H28O4 and molecular weight is 344.44. What's more, its systematic name is 17-Hydroxypregn-4-ene-3,11,20-trione. This chemical is used as a cortisone derivative and a glucocorticoid.
Physical properties of 21-Deoxycortisone are: (1)ACD/LogP: 1.738; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.33; (6)ACD/BCF (pH 7.4): 12.33; (7)ACD/KOC (pH 5.5): 210.16; (8)ACD/KOC (pH 7.4): 210.16; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.44 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 92.637 cm3; (15)Molar Volume: 282.984 cm3; (16)Polarizability: 36.724×10-24cm3; (17)Surface Tension: 50.0 dyne/cm; (18)Density: 1.217 g/cm3; (19)Flash Point: 285.129 °C; (20)Enthalpy of Vaporization: 91.873 kJ/mol; (21)Boiling Point: 524.571 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)[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
(2)Std. InChI: InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1
(3)Std. InChIKey: PUKLDDOGISCFCP-JSQCKWNTSA-N