methanol
prednisolone 21-acetate
A
prednisolon
B
acetic acid methyl ester
Conditions | Yield |
---|---|
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution; | A n/a B 100% |
Conditions | Yield |
---|---|
With Rhodococcus coprophilus DSM 43347 In dimethyl sulfoxide at 30℃; for 24h; Reagent/catalyst; Green chemistry; regiospecific reaction; | 97% |
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane for 4h; Reflux; | 83.33% |
With potassium phosphate buffer In methanol at 30℃; free and the urethane prepolymer-entrapped acetone-dried cells of Arthrobacter simplex; effect of gel hydrophobicity; effect of electron acceptors and solvents; | |
With 3-ketosteroid-Δ1-dehydrogenase from Mycobacterium smegmatis mc2155; phenazine methosulfate In dimethyl sulfoxide at 30℃; for 16h; pH=8; Catalytic behavior; Kinetics; Solvent; Reagent/catalyst; Enzymatic reaction; |
Conditions | Yield |
---|---|
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution; | A n/a B 96% |
Conditions | Yield |
---|---|
With water; potassium carbonate; sodium hydroxide In methanol at 0 - 10℃; for 2h; Inert atmosphere; | 92.5% |
With methanol; triethylamine for 14h; Ambient temperature; | 49% |
With potassium hydroxide | |
Stage #1: prednisolone 21-acetate With water; sodium hydroxide In methanol; dichloromethane at 0 - 30℃; for 2.5h; Inert atmosphere; Stage #2: With acetic acid In methanol; dichloromethane at -12 - -5℃; for 1h; pH=6 - 7; Reagent/catalyst; Reflux; | 15.8 g |
prednisolone 11β,21-diacetate
prednisolon
Conditions | Yield |
---|---|
With di(n-butyl)tin oxide In methanol for 2.5h; Heating; | 91% |
prednisolon
Conditions | Yield |
---|---|
With methanol; triethylamine for 0.166667h; Ambient temperature; Irradiation; | 90% |
prednisolon
Conditions | Yield |
---|---|
With methanol; triethylamine at 20℃; under 8250660 Torr; for 168h; Product distribution; Further Variations:; Reagents; Pressures; | 81% |
methanol
prednisolone 21-trimethylacetate
A
prednisolon
B
Methyl pivalate
Conditions | Yield |
---|---|
With triethylamine at 20℃; under 8250660 Torr; for 2h; Product distribution; Further Variations:; Reagents; Pressures; | A n/a B 78% |
methanol
prednisolone 11β-acetate
A
prednisolon
B
acetic acid methyl ester
Conditions | Yield |
---|---|
With triethylamine at 20℃; under 8250660 Torr; for 168h; Product distribution; Further Variations:; Reagents; Pressures; | A 76% B n/a |
HYDROCORTISONE
A
prednisolon
B
11β,17α,20β,21-tetrahydroxy-1,4-pregnadiene-3-one
Conditions | Yield |
---|---|
With Rhodococcus erythropholis DSM 43188 In dimethyl sulfoxide at 30℃; for 72h; Green chemistry; regiospecific reaction; | A 37% B 40% |
Conditions | Yield |
---|---|
With Curvularia lunata In water at 30℃; for 72h; Yield given; |
Conditions | Yield |
---|---|
With methanol; triethylamine for 0.0833333h; Ambient temperature; Irradiation; | 67 % Chromat. |
prednisolon
Conditions | Yield |
---|---|
With didymella lycopersicin | |
With corynebacterium simplex | |
With corynebacterium simplex |
prednisolon
Conditions | Yield |
---|---|
With 2,4,6-trimethyl-pyridine; bromine |
Conditions | Yield |
---|---|
With phosphate buffer In N,N-dimethyl-formamide at 37℃; Kinetics; |
A
prednisolon
Conditions | Yield |
---|---|
With phosphate buffer In N,N-dimethyl-formamide at 25℃; Kinetics; |
Conditions | Yield |
---|---|
With potassium hydroxide; sodium hydroxide In tetrahydrofuran; PO4; dichloromethane; water; acetone |
Conditions | Yield |
---|---|
With water at 37℃; pH=7.4 - 8; Kinetics; |
Conditions | Yield |
---|---|
With water at 37℃; pH=7.4 - 9; Kinetics; |
Conditions | Yield |
---|---|
With sodium dithionite In acetonitrile |
Conditions | Yield |
---|---|
With Clostridium perfringens; brain heart infusion medium In dimethyl sulfoxide at 37℃; for 24h; pH=7.4; Enzymatic reaction; |
Conditions | Yield |
---|---|
With sodium dithionite In acetonitrile |
C30H35NO8
prednisolon
Conditions | Yield |
---|---|
With Clostridium perfringens; brain heart infusion medium In dimethyl sulfoxide at 37℃; for 24h; pH=7.4; Enzymatic reaction; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sodium methylate / methanol / 0.5 h / 20 °C 2: 2,3-dicyano-5,6-dichloro-p-benzoquinone / 1,4-dioxane / 4 h / Reflux View Scheme |
Conditions | Yield |
---|---|
With water In acetone at 25 - 28℃; for 336h; Microbiological reaction; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: sulfuric acid / acetone; water / 0.5 h / 0 - 5 °C 1.2: 0 - 5 °C 2.1: zinc; chromium(VI) oxide; mercaptoacetic acid / acetone; dimethyl sulfoxide / 15 - 20 °C 2.2: 1 h 2.3: 0.33 h 3.1: sodium hydroxide; potassium carbonate; water / methanol / 2 h / 0 - 10 °C / Inert atmosphere View Scheme |
(10S,13S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one
prednisolon
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: dmap / chloroform / 0.17 h 1.2: 10 - 20 °C 2.1: sulfuric acid / acetone; water / 0.5 h / 0 - 5 °C 2.2: 0 - 5 °C 3.1: zinc; chromium(VI) oxide; mercaptoacetic acid / acetone; dimethyl sulfoxide / 15 - 20 °C 3.2: 1 h 3.3: 0.33 h 4.1: sodium hydroxide; potassium carbonate; water / methanol / 2 h / 0 - 10 °C / Inert atmosphere View Scheme |
prednisolon
(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0 02,7. 011,15]heptadeca-3,6-diene-14-carboxylic acid
Conditions | Yield |
---|---|
With periodic acid In tetrahydrofuran; methanol at 20℃; for 2h; | 100% |
With sodium periodate; sulfuric acid In methanol; water at 20℃; for 16h; Inert atmosphere; | 98.8% |
With sodium periodate In methanol; water for 0.5h; Heating; Large scale; | 97% |
Conditions | Yield |
---|---|
In acetone for 0.5h; Heating; | 100% |
Conditions | Yield |
---|---|
With dmap In N,N-dimethyl-formamide at 40℃; for 0.5h; Inert atmosphere; | 99.8% |
With pyridine | 98% |
With pyridine | |
With dmap at 60 - 65℃; for 6h; Time; | 55.1 g |
With sodium acetate In tetrahydrofuran; acetone at 40℃; for 3h; Reagent/catalyst; Inert atmosphere; |
prednisolon
methanesulfonyl chloride
11β,17α,21-trihydroxypregna-1,4-diene-3,20-dione 21-mesylate
Conditions | Yield |
---|---|
With pyridine for 0.5h; | 99.2% |
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; | 91% |
prednisolon
trimethyl 3-(methoxycarbonyl)orthopropionate
11β-hydroxy-17α,21-(1-methoxy-3-methoxycarbonylpropylidenedioxy)-1,4-pregnadiene-3,20-dione
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In benzene for 4h; Heating; | 99% |
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In benzene for 1h; Heating; | 97% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 18h; | 97% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 18h; | 95% |
Conditions | Yield |
---|---|
With pyridine at 20℃; for 24h; | 92% |
Stage #1: succinic acid anhydride; prednisolon With pyridine at 20℃; for 24h; Stage #2: With hydrogenchloride In water Cooling with ice; | 63% |
prednisolon
orthocarbonic acid tetraethyl ester
prednisolone-17,21-diethylorthocarbonate
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In 1,4-dioxane at 22℃; for 17h; | 90% |
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 25℃; for 17h; | 90% |
With pyridine; dmap at 20℃; for 0.5h; |
prednisolon
C14H19NO4
3-(2-(tert-butoxycarbonylamino)phenyl)propionic acid 2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl ester
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 3h; | 90% |
Conditions | Yield |
---|---|
With pyridine at 22℃; for 2h; | 88.3% |
prednisolon
(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
Conditions | Yield |
---|---|
In water; acetonitrile at 20℃; Electrochemical reaction; | 87% |
With bithmuth(III) triflate hydrate In 1,4-dioxane at 80℃; chemoselective reaction; | 78% |
With zinc(II) chloride In tetrahydrofuran for 8h; Reagent/catalyst; Reflux; Inert atmosphere; | 76% |
prednisolon
m-sulfobenzoic acid, monosodium salt
Conditions | Yield |
---|---|
With triethylamine In water; N,N-dimethyl-formamide at 95℃; for 18h; Inert atmosphere; | 86% |
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 18h; Steglich Esterification; Inert atmosphere; | 85% |
prednisolon
4-Nitrophenyl chloroformate
prednisolone 21-(4-nitrophenylcarbonate)
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; for 10h; | 84% |
Conditions | Yield |
---|---|
With pyridine N-oxide; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In dichloromethane at 20℃; for 2h; Inert atmosphere; chemoselective reaction; | 83% |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 4h; | 82% |
prednisolon
3-(Chloromethyl)benzoyl chloride
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 18h; | 82% |
prednisolon
11β,21-Dihydroxy-pregn-1,4-diene-3,20-dione
Conditions | Yield |
---|---|
With trimethylsilyl iodide In acetonitrile for 1h; Ambient temperature; | 80% |
prednisolon
Conditions | Yield |
---|---|
Stage #1: prednisolon; Boc-His(Tos)-Gly-Lys(Z)-NHNH2 With acetic acid In methanol at 20℃; for 48h; pH=2; Stage #2: With dimethylsulfide; trifluorormethanesulfonic acid; trifluoroacetic acid at 0℃; for 2h; | 80% |
prednisolon
prednisolone 20-hydrazone
Conditions | Yield |
---|---|
With hydrazine hydrate In ethanol at 40℃; for 2h; | 80% |
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
The Hydrodeltalone, with the CAS registry number 50-24-8, is also known as 11beta,17alpha,21-Trihydroxypregna-1,4-diene-3,20-dione; 1,4-Pregnadiene-11b,17a,21-triol-3,20-dione. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals;Steroid and Hormone.This chemical's molecular formula is C21H28O5 and molecular weight is 360.45.Its EINECS number is 200-021-7.What's more,Its systematic name is Prednisolone.It is Crystalline Solid.It is a glucocorticoid with the general properties of the corticosteroids. It is the drug of choice for all conditions in which routine systemic corticosteroid therapy is indicated, except adrenal deficiency states.
Physical properties about Hydrodeltalone are:
(1)ACD/LogP: 1.635; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.29; (6)ACD/BCF (pH 7.4): 10.29; (7)ACD/KOC (pH 5.5): 184.65; (8)ACD/KOC (pH 7.4): 184.65; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 95.481 cm3; (14)Molar Volume: 274.7 cm3; (15)Surface Tension: 60.7360000610352 dyne/cm; (16)Density: 1.312 g/cm3; (17)Flash Point: 312.953 °C; (18)Enthalpy of Vaporization: 98.3 kJ/mol; (19)Boiling Point: 570.629 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C;
You can still convert the following datas into molecular structure:
(1)SMILES:O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C;
(2)Std. InChI:InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1;
(3)Std. InChIKey:OIGNJSKKLXVSLS-VWUMJDOOSA-N.
Safety Information of Hydrodeltalone:
The Hydrodeltalone is highly flammable.Keep it far away from sources of ignition - No smoking. It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.When you use it ,wear suitable protective clothing, gloves and eye/face protection.In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
The toxicity data of Prednisolone as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
man | TDLo | oral | 9mg/kg/2W-I (9mg/kg) | BEHAVIORAL: TOXIC PSYCHOSIS | Drug Intelligence and Clinical Pharmacy. Vol. 18, Pg. 603, 1984. |
mouse | LD50 | intraperitoneal | 65mg/kg (65mg/kg) | Indian Drugs. Vol. 22, Pg. 529, 1985. | |
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | Pharmaceutical Chemistry Journal Vol. 16, Pg. 63, 1982. | |
mouse | LD50 | oral | 1680mg/kg (1680mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 111, 1970. | |
mouse | LD50 | subcutaneous | > 3500mg/kg (3500mg/kg) | Drugs in Japan Vol. 6, Pg. 710, 1982. | |
rat | LD50 | intraperitoneal | 2gm/kg (2000mg/kg) | Advances in Teratology. Vol. 3, Pg. 181, 1968. | |
rat | LD50 | intravenous | 120mg/kg (120mg/kg) | Pharmaceutical Chemistry Journal Vol. 16, Pg. 63, 1982. | |
rat | LD50 | subcutaneous | 147mg/kg (147mg/kg) | Toxicology and Applied Pharmacology. Vol. 8, Pg. 250, 1966. | |
women | TDLo | oral | 14mg/kg/13D-I (14mg/kg) | BEHAVIORAL: TOXIC PSYCHOSIS | Drug Intelligence and Clinical Pharmacy. Vol. 18, Pg. 603, 1984. |
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