Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
11-Ketotestosterone |
EINECS | N/A |
CAS No. | 564-35-2 | Density | 1.191 g/cm3 |
PSA | 54.37000 | LogP | 3.05820 |
Solubility | N/A | Melting Point |
183-184 °C(Solv: acetone (67-64-1); hexane (110-54-3)) |
Formula | C19H26O3 | Boiling Point | 476.791 °C at 760 mmHg |
Molecular Weight | 302.414 | Flash Point | 256.265 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Androst-4-ene-3,11-dione,17β-hydroxy- (8CI);11-Ketotestosterone;11-Oxotestosterone;11-keto-Testosterone;17β-Hydroxyandrost-4-ene-3,11-dione;4-Androsten-17β-ol-3,11-dione; |
Article Data | 14 |
Conditions | Yield |
---|---|
With sodium tetrahydroborate In pyridine; methanol | 67% |
With tris-buffer; 1,4-dihydronicotinamide adenine dinucleotide; 17β-hydroxysteroid dehydrogenase In ethylene glycol for 1h; Ambient temperature; | 15% |
With sodium tetrahydroborate |
(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
A
adrenosterone
B
11-ketotestosterone
Conditions | Yield |
---|---|
With 4-(N,N-dimethylamino)pyridinium chlorochromate In dichloromethane for 4h; | A 3% B 49% |
Conditions | Yield |
---|---|
With bromine dann mit Semicarbazid und anschliessend mit Brenztraubensaeure; |
11-ketotestosterone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 91 percent / pyridinium dichromate / CH2Cl2 / 44 h / Ambient temperature 2: 15 percent / tris-buffer (pH 7.4), 17β-hydroxysteroid dehydrogenase, β-NADH / ethane-1,2-diol / 1 h / Ambient temperature View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 69 percent / CrO3, H2SO4 / acetone 2: 67 percent / NaBH4 / methanol; pyridine View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: CrO3 View Scheme |
11β-hydroxy-17β-propionyloxy-androst-4-en-3-one
11-ketotestosterone
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: CrO3 View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: ethylene glycol; benzene; toluene-4-sulfonic acid 2: platinum / Hydrogenation.und anschliessenden Hydrolyse 3: bromine / dann mit Semicarbazid und anschliessend mit Brenztraubensaeure View Scheme |
The 11-Ketotestosterone, with the CAS registry number 50-67-9, is also known as 4-Androsten-17β-ol-3,11-dione. It belongs to the product categories of Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Steroids. This chemical's molecular formula is C19H26O3 and molecular weight is 302.41. What's more, its systematic name is (17β)-17-Hydroxyandrost-4-ene-3,11-dione. This chemical is used as a metabolite of Adrenosterone.
Physical properties of 11-Ketotestosterone are: (1)ACD/LogP: 1.296; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.30; (4)ACD/LogD (pH 7.4): 1.30; (5)ACD/BCF (pH 5.5): 5.69; (6)ACD/BCF (pH 7.4): 5.69; (7)ACD/KOC (pH 5.5): 120.86; (8)ACD/KOC (pH 7.4): 120.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.37 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 83.229 cm3; (15)Molar Volume: 253.886 cm3; (16)Polarizability: 32.995×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.191 g/cm3; (19)Flash Point: 256.265 °C; (20)Enthalpy of Vaporization: 85.361 kJ/mol; (21)Boiling Point: 476.791 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation of 11-Ketotestosterone: this chemical can be prepared by androst-4-ene-3,11,17-trione. This reaction will need reagent NaBH4 and solvents methanol, pyridine. The yield is about 67%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2C[C@]4([C@H]([C@@H]3CC\C1=C\C(=O)CC[C@]1(C)[C@@H]23)CC[C@@H]4O)C
(2)Std. InChI: InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,16-17,22H,3-8,10H2,1-2H3/t13-,14-,16-,17+,18-,19-/m0/s1
(3)Std. InChIKey: WTPMRQZHJLJSBO-XQALERBDSA-N