CAS No.1882-82-2,21-DEOXYCORTISONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1882-82-2
Name:	21-DEOXYCORTISONE

Formula:	C₂₁H₂₈O₄
Molecular Weight:	344.451
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;
EINECS:	217-541-5
Density:	1.217 g/cm³
Melting Point:	236-239 °C
Boiling Point:	524.571 °C at 760 mmHg
Flash Point:	285.129 °C
PSA:	71.44000
LogP:	3.01740

Synthetic route

: 5758-63-4
21-iodocortisone

: 1882-82-2
17-hydroxy-pregn-4-ene-3,11,20-trione

Conditions

Conditions	Yield
With mercaptoacetic acid In N,N-dimethyl-formamide for 0.25h; Ambient temperature;	99.7%

: 641-77-0
21-deoxycortisol

: 1882-82-2
17-hydroxy-pregn-4-ene-3,11,20-trione

Conditions

Conditions	Yield
With Jones reagent In butanone at 0 - 9℃; for 2h; Solvent;	98.2%

: 5783-48-2
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

: 1882-82-2
17-hydroxy-pregn-4-ene-3,11,20-trione

Conditions

Conditions	Yield
With sodium iodide; zinc In 1,2-dimethoxyethane; water for 5h; Heating;	89%

: 53-06-5, 10007-36-0, 15779-07-4, 35446-72-1, 104713-00-0
17,21-dihydroxy-pregn-4-ene-3,11,20-trione

: 1882-82-2
17-hydroxy-pregn-4-ene-3,11,20-trione

Conditions

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;

: 603-98-5
11α,17α-dihydroxypregn-4-ene-3,20-dione

: 1882-82-2
17-hydroxy-pregn-4-ene-3,11,20-trione

Conditions

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

: 17276-51-6
3β,11α,17-trihydroxy-pregn-5-en-20-one

: 1882-82-2
17-hydroxy-pregn-4-ene-3,11,20-trione

Conditions

Conditions	Yield
With chromium(VI) oxide; sulfuric acid; acetone Isomerisierung des Reaktionsprodukts mit HCl und Essigsaeure;

: 114160-28-0
4β-chloro-17-hydroxy-5β-pregnane-3,11,20-trione

: 1882-82-2
17-hydroxy-pregn-4-ene-3,11,20-trione

Conditions

Conditions	Yield
With semicarbazide hydrochloride; sodium acetate Behandeln anschliessend mit Brenztraubensaeure;

: 111584-17-9
4β-bromo-17-hydroxy-5β-pregnane-3,11,20-trione

: 1882-82-2
17-hydroxy-pregn-4-ene-3,11,20-trione

Conditions

Conditions	Yield
With pyridine

: 10455-93-3
17-hydroxy-5β-pregnane-3,11,20-trione

: 1882-82-2
17-hydroxy-pregn-4-ene-3,11,20-trione

Conditions

Conditions	Yield
With bromine Erhitzen des Reaktionsprodukts mit Pyridin;
Multi-step reaction with 2 steps 1: acetic acid; bromine 2: pyridine View Scheme

16β-iodo-17-hydroxy-pregn-4-ene-3,11,20-trione: 16β-iodo-17-hydroxy-pregn-4-ene-3,11,20-trione

: 1882-82-2
17-hydroxy-pregn-4-ene-3,11,20-trione

Conditions

Conditions	Yield
With ethanol; nickel

Total:39 Page 1 of 2 1 2 Next>>

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Specification

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