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CAS No.: | 633-35-2 |
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Name: | Androsta-1,4,6-triene-3,17-dione |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C19H22O2 |
Molecular Weight: | 282.382 |
Synonyms: | 1,4,6-Androstatrien-3,17-dione; |
EINECS: | 1806241-263-5 |
Density: | 1.16 g/cm3 |
Melting Point: | 164-165 °C |
Boiling Point: | 452.8 °C at 760 mmHg |
Flash Point: | 168.7 °C |
Solubility: | methanol: 50 mg/mL, soluble |
Safety: | 22-24/25 |
PSA: | 34.14000 |
LogP: | 3.63940 |
Conditions | Yield |
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With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane for 24h; Heating; | 61% |
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane for 24h; Heating; | 45% |
Conditions | Yield |
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With sodium periodate |
6β-bromo-androsta-1,4-diene-3,17-dione
1,4,6-androstatriene-3,17-dione
Conditions | Yield |
---|---|
With 2,4,6-trimethyl-pyridine |
1,4,6-androstatriene-3,17-dione
Conditions | Yield |
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With 2,4,6-trimethyl-pyridine |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: dibenzoyl peroxide; CCl4; N-bromo-succinimide 2: 2,4,6-trimethyl-pyridine View Scheme |
Conditions | Yield |
---|---|
copper(I) bromide In 1,4-dioxane; water; toluene | 99% |
With copper(I) bromide In tetrahydrofuran for 1h; Ambient temperature; | 89% |
Conditions | Yield |
---|---|
With sodium carbonate In methanol; water at 20 - 45℃; Reagent/catalyst; Solvent; | 98.6% |
With sodium carbonate In water at 20 - 45℃; Reagent/catalyst; Solvent; | 98.6% |
With sodium carbonate In water at 40 - 45℃; Solvent; Reagent/catalyst; | 98.6% |
Conditions | Yield |
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With dihydrogen peroxide; sodium hydroxide In methanol at 20℃; for 12h; | 86% |
With sodium hydroxide; dihydrogen peroxide In methanol at 20℃; for 22h; | 78% |
1,4,6-androstatriene-3,17-dione
1,4,6-androstatrien-3β,17β-diol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In ethanol at 20℃; for 24h; | 83% |
With sodium tetrahydroborate In ethanol at 20℃; | 63% |
1,4,6-androstatriene-3,17-dione
Conditions | Yield |
---|---|
With sodium hydroxide In water; acetone | 73% |
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The Androsta-1,4,6-triene-3,17-dione, with the CAS registry number 633-35-2, is also known as 1,4,6-Androstatrien-3,17-dione. It belongs to the product categories of Various Metabolites and Impurities; Metabolites & Impurities; Steroids. This chemical's molecular formula is C19H22O2 and molecular weight is 282.16198. Its IUPAC name is called (8R,9S,10R,13S,14S)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione. This chemical's classification codes are Enzyme inhibitors and Reproductive Effect. When you are using this chemical, please be cautious about it. You should not breathe its dust. You must avoid contacting it with skin and eyes.
Physical properties of Androsta-1,4,6-triene-3,17-dione: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.67; (5)ACD/BCF (pH 7.4): 48.67; (6)ACD/KOC (pH 5.5): 561.47; (7)ACD/KOC (pH 7.4): 561.47; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.587; (10)Molar Refractivity: 81.53 cm3; (11)Molar Volume: 242.5 cm3; (12)Surface Tension: 45.2 dyne/cm; (13)Density: 1.16 g/cm3; (14)Flash Point: 168.7 °C; (15)Enthalpy of Vaporization: 71.21 kJ/mol; (16)Boiling Point: 452.8 °C at 760 mmHg; (17)Vapour Pressure: 2.17E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\4\C=C/[C@]3(C(/C=C\[C@H]2[C@H]1[C@@](C(=O)CC1)(CC[C@@H]23)C)=C/4)C
(2)InChI: InChI=1/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
(3)InChIKey: DKVSUQWCZQBWCP-QAGGRKNEBB