1,4,6-Androstatrien-3,17-dione supplier

Name
Androsta-1,4,6-triene-3,17-dione
EINECS 1806241-263-5
CAS No. 633-35-2
Article Data20
CAS DataBase
Density 1.16 g/cm³
Solubility methanol: 50 mg/mL, soluble
Melting Point 164-165 °C
Formula C₁₉H₂₂O₂
Boiling Point 452.8 °C at 760 mmHg
Molecular Weight 282.382
Flash Point 168.7 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4,6-Androstatrien-3,17-dione;
PSA 34.14000
LogP 3.63940

Synthetic route

: 53-43-0
dehydroepiandrosterone

: 633-35-2
1,4,6-androstatriene-3,17-dione

Conditions

Conditions	Yield
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%

: 633-34-1
androst-4,6-diene-3,17-dione

: 633-35-2
1,4,6-androstatriene-3,17-dione

Conditions

Conditions	Yield
With sodium periodate

: 27759-21-3
6β-bromo-androsta-1,4-diene-3,17-dione

: 633-35-2
1,4,6-androstatriene-3,17-dione

Conditions

Conditions	Yield
With 2,4,6-trimethyl-pyridine

2α,6β-dibromo-androst-4-ene-3,17-dione: 2α,6β-dibromo-androst-4-ene-3,17-dione

: 633-35-2
1,4,6-androstatriene-3,17-dione

Conditions

Conditions	Yield
With 2,4,6-trimethyl-pyridine

: 897-06-3
Androsta-1,4-diene-3,17-dione

: 633-35-2
1,4,6-androstatriene-3,17-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dibenzoyl peroxide; CCl4; N-bromo-succinimide 2: 2,4,6-trimethyl-pyridine View Scheme

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 75-24-1
trimethylaluminum

: 1α-methyl-androsta-4,6-diene-3,17-dione

Conditions

Conditions	Yield
copper(I) bromide In 1,4-dioxane; water; toluene	99%
With copper(I) bromide In tetrahydrofuran for 1h; Ambient temperature;	89%

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: C20H23NO2

Conditions

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%

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 5902-32-9
1α,2α-epoxy-4,6-androstadiene-3,17-dione

Conditions

Conditions	Yield
With dihydrogen peroxide; sodium hydroxide In methanol at 20℃; for 12h;	86%
With sodium hydroxide; dihydrogen peroxide In methanol at 20℃; for 22h;	78%

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 34195-01-2
1,4,6-androstatrien-3β,17β-diol

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 20℃; for 24h;	83%
With sodium tetrahydroborate In ethanol at 20℃;	63%

: sodium metabisulfite

: oxone

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 6,7α-epoxyandrosta-1,4-diene-3,17-dione

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone	73%

...Expand

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 140421-66-5
(E)-6-hydroxyiminoandrosta-1,4-diene-3,17-dione

Conditions

Conditions	Yield
With triethylsilane; tert.-butylnitrite; cobalt(II) 5,10,15,20-tetraphenylporphyrin In dichloromethane; isopropyl alcohol for 48h; Ambient temperature;	68%

: 633-35-2
1,4,6-androstatriene-3,17-dione

A: 3591-23-9, 3593-33-7, 4030-88-0, 4223-57-8, 2484-30-2
6-dehydrotestosterone

B: 4075-12-1
1,4,6-Androstatrien-17beta-ol-3-one

Conditions

Conditions	Yield
With lithium triethylborohydride In tetrahydrofuran at 20℃; for 2h;	A 65% B 13%
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 1h;	A 16% B 53%

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 55651-50-8
6α,7α-epoxy-4,6-androstadiene-3,17-dione

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In chloroform at 20℃;	64%
With 3-chloro-benzenecarboperoxoic acid In chloroform at 60℃; for 6h; Inert atmosphere;	61%

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 1,4,6-androstatrien-3α,17β-diol

Conditions

Conditions	Yield
With L-Selectride In tetrahydrofuran at 20℃; for 18h;	63%

: 529-36-2
1-Naphthalenethiol

: 633-35-2
1,4,6-androstatriene-3,17-dione

A: 7α-(1'-naphthyl)thioandrosta-1,4-diene-3,17-dione

B: (1S,7R,8S,9S,10R,13S,14S)-10,13-Dimethyl-1,7-bis-(naphthalen-1-ylsulfanyl)-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid for 20h; Ambient temperature;	A 20% B 45%

...Expand

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 91-60-1
2-Naphthalenethiol

A: 7α-(2'-naphthyl)thioandrosta-1,4-diene-3,17-dione

B: (1S,8S,9S,10R,13S,14S)-10,13-Dimethyl-1-(naphthalen-2-ylsulfanyl)-1,8,9,10,11,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-3,17-dione

C: (1S,7R,8S,9S,10R,13S,14S)-10,13-Dimethyl-1,7-bis-(naphthalen-2-ylsulfanyl)-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione

Conditions

Conditions	Yield
With sodium In 1,4-dioxane at 80℃; for 18h;	A 25% B 35% C 10%

...Expand

: 373-91-1
hypofluorous acid trifluoromethyl ester

: 633-35-2
1,4,6-androstatriene-3,17-dione

A: 82423-37-8
6α,7α-difluoroandrosta-1,4-diene-3,17-dione

B: 82423-38-9
7α-fluoro-6α-trifluoromethoxyandrosta-1,4-diene-3,17-dione

Conditions

Conditions	Yield
With calcium oxide In dichloromethane at -20℃;	A 15% B 30%

...Expand

: 633-35-2
1,4,6-androstatriene-3,17-dione

A: 82423-37-8
6α,7α-difluoroandrosta-1,4-diene-3,17-dione

B: 82423-38-9
7α-fluoro-6α-trifluoromethoxyandrosta-1,4-diene-3,17-dione

Conditions

Conditions	Yield
With trichlorofluoromethane; calcium oxide In dichloromethane at -20℃;	A 15% B 30%

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 1193-02-8
4-aminotiophenol

A: 110325-37-6
7α-(4'-amino)phenylthio-1,4-androstadiene-3,17-dione

B: 110325-38-7
(1S,8S,9S,10R,13S,14S)-1-(4-Amino-phenylsulfanyl)-10,13-dimethyl-1,8,9,10,11,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-3,17-dione

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid for 24h; Ambient temperature;	A 15% B 30%

...Expand

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 108-98-5
thiophenol

: 7α-phenylthioandrosta-1,4-diene-3,17-dione

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid for 24h; Ambient temperature;	27%

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 106-53-6
para-bromobenzenethiol

: 7α-(4'-bromo)phenylthioandrosta-1,4-diene-3,17-dione

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid for 15h; Ambient temperature;	15%

: 507-09-5
thioacetic acid

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 102472-23-1
1α-acetylsulfanyl-androsta-4,6-diene-3,17-dione

Conditions

Conditions	Yield
Einwirkung von UV-Licht;
im UV-Licht;

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 2208-12-0
6-dehydroestrone

Conditions

Conditions	Yield
With glass at 600℃;

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 108-24-7
acetic anhydride

: 53-55-4
3-acetoxy-1-methyl-estra-1,3,5(10),6-tetraen-17-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid
With toluene-4-sulfonic acid; acetic acid

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 108-24-7
acetic anhydride

: 18012-02-7
1-Methyl-3-acetoxy-7-acetyl-Δ1.3.5(10).6-oestratetraen-17-on

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; acetic acid

: 633-35-2
1,4,6-androstatriene-3,17-dione

: (13S,14R)-1-Hydroxy-4,13-dimethyl-6,7,11,12,13,14,15,16-octahydro-cyclopenta[a]phenanthren-17-one

Conditions

Conditions	Yield
With hydrogen fluoride; antimony pentafluoride at -50℃;

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 2-ethoxy-1,4,6-androstatrien-3β,17β-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 78 percent / NaOH; H2O2 / methanol / 22 h / 20 °C 2: 73 percent / lithium / 18 h / 20 °C View Scheme

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 1α,2α-epoxy-1,4-androstadien-3β,17β-diol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 78 percent / NaOH; H2O2 / methanol / 22 h / 20 °C 2: 69 percent / NaBH4 / ethanol / 20 °C View Scheme

: 633-35-2
1,4,6-androstatriene-3,17-dione

: 4β,5β-epoxyandrost-6-en-3β,17β-diol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 63 percent / NaBH4 / ethanol / 20 °C 2: 64 percent / m-chloroperoxybenzoic acid / CHCl3 / 20 °C View Scheme

1,4,6-Androstatrien-3,17-dione Specification

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

Product Name

Androsta-1,4,6-triene-3,17-dione

Synthetic route

1,4,6-Androstatrien-3,17-dione Specification

Related Products

Hot Products