CAS No.73771-04-7,[2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] propanoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73771-04-7
Name:	[2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] propanoate
Article Data:	4

Formula:	C₂₇H₃₆O₈
Molecular Weight:	488.578
Synonyms:	Dermatop;HOE 777;Prednisolone 17-(ethyl carbonate)21-propionate;Prednitop;Regenit;S 77-0777;
EINECS:	277-590-3
Density:	1.25 g/cm³
Melting Point:	110 - 112ºC
Boiling Point:	640.7 °C at 760 mmHg
Flash Point:	209.4 °C
Appearance:	White cystalline powder
PSA:	116.20000
LogP:	3.69930

Synthetic route

: 104286-02-4
Prednisolone 17-ethylcarbonate

: 123-62-6
propionic acid anhydride

: 73771-04-7
prednicarbate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; for 24h;	87.1%
With dmap In dichloromethane at 20℃; for 16h;	30.4%

: 79-03-8
propionyl chloride

: 104286-02-4
Prednisolone 17-ethylcarbonate

: 73771-04-7
prednicarbate

Conditions

Conditions	Yield
With pyridine 1.) 0 deg C, 30 min, 2.) 20 deg C, 2 h; Yield given;

: 50-24-8
prednisolon

HgO: HgO

: 73771-04-7
prednicarbate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 90 percent / p-TosOH / dioxane / 17 h / 22 °C 2: glacial AcOH, H2O / 5 h / 18 °C 3: pyridine / 1.) 0 deg C, 30 min, 2.) 20 deg C, 2 h View Scheme
Multi-step reaction with 3 steps 1: 90 percent / p-TosOH / dioxane / 17 h / 22 °C 2: glacial AcOH, H2O / 5 h / 18 °C 3: 30.4 percent / 4-dimethylaminopyridine / CH2Cl2 / 16 h / 20 °C View Scheme

: 26129-79-3
prednisolone-17,21-diethylorthocarbonate

: 73771-04-7
prednicarbate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: glacial AcOH, H2O / 5 h / 18 °C 2: pyridine / 1.) 0 deg C, 30 min, 2.) 20 deg C, 2 h View Scheme
Multi-step reaction with 2 steps 1: glacial AcOH, H2O / 5 h / 18 °C 2: 30.4 percent / 4-dimethylaminopyridine / CH2Cl2 / 16 h / 20 °C View Scheme

: 73771-04-7
prednicarbate

A: 5740-62-5
11β,17-dihydroxy-21-propionyloxypregna-1,4-diene-3,20-dione

B: 104286-02-4
Prednisolone 17-ethylcarbonate

Conditions

Conditions	Yield
With silica gel for 20h; Irradiation;	A 0.62% B 0.58%

: 73771-04-7
prednicarbate

: 50802-85-2
C24H30O5

Conditions

Conditions	Yield
at 264℃; for 0.5h; Inert atmosphere;

: 73771-04-7
prednicarbate

A: 50-24-8
prednisolon

B: 4-(4-hydroxybenzyl)-2-(3-methylbut-2-enyl)phenyl methyl carbonate

C: 104286-02-4
Prednisolone 17-ethylcarbonate

Conditions

Conditions	Yield
With water In acetone at 25 - 28℃; for 336h; Microbiological reaction;

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Chemistry

Molecule structure of Pregna-1,4-diene-3,20-dione,17-[(ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)-, (11b)- (CAS NO.73771-04-7):

IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-Ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo 7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Molecular Weight: 488.56994 [g/mol]
Molecular Formula: C₂₇H₃₆O₈
XLogP3: 4.2
H-Bond Donor: 1
H-Bond Acceptor: 8
Rotatable Bond Count: 9
Tautomer Count: 6
Exact Mass: 488.241018
MonoIsotopic Mass: 488.241018
Topological Polar Surface Area: 116
Heavy Atom Count: 35
Index of Refraction: 1.56
Molar Refractivity: 125.65 cm³
Molar Volume: 388.5 cm³
Surface Tension: 52.2 dyne/cm
Density: 1.25 g/cm³
Flash Point: 209.4 °C
Enthalpy of Vaporization: 108.35 kJ/mol
Boiling Point: 640.7 °C at 760 mmHg
Vapour Pressure: 4.11E-19 mmHg at 25 °C
Canonical SMILES: CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC
Isomeric SMILES: CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCC
EINECS: 277-590-3
Classification Code: Adrenal Cortex Hormones; Anti-Inflammatory Agents; Glucocorticoid; Glucocorticoids; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists

Uses

Pregna-1,4-diene-3,20-dione,17-[(ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)-, (11b)- (CAS NO.73771-04-7) is a relatively new topical corticosteroid drug. It is used for inflammatory skin diseases in the local treatment of adrenal cortex hormones.

Specification

Pregna-1,4-diene-3,20-dione,17-[(ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)-, (11b)- (CAS NO.73771-04-7) is also called 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-(ethyl carbonate) 21-propionate ; Dermatop ; Dermatop E Emollient ; Prednicarbate ; Prednicarbato ; Prednicarbato [INN-Spanish] ; Prednicarbatum ; Prednicarbate ; Pregna-1,4-diene-3,20-dione, 17-((ethoxycarbonyl)oxy)-11-hydroxy-21-(1-oxopropoxy)-, (11beta)- .