CAS No.633-35-2,Androsta-1,4,6-triene-3,17-dione Suppliers

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Basic Information

Molecular Structure:
CAS No.:	633-35-2
Name:	Androsta-1,4,6-triene-3,17-dione
Article Data:	20

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

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

Raw Materials

53-43-0

633-34-1

897-06-3

Downstream Products

2208-12-0

3597-38-4

3129-08-6

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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