4,6-ANDROSTADIEN-3,17-DIONE

The Androsta-4,6-diene-3,17-dione, with the CAS registry number 633-34-1, is also known as 4,6-Androstadiene-3,17-dione. This chemical's molecular formula is C₁₉H₂₄O₂ and molecular weight is 284.39. Its IUPAC name is called (8R,9S,10R,13S,14S)-10,13-dimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione. What's more, this chemical's classification codes are Hormone; Mutation data.

Physical properties of Androsta-4,6-diene-3,17-dione: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 2.51; (3)ACD/LogD (pH 7.4): 2.51; (4)ACD/BCF (pH 5.5): 47.27; (5)ACD/BCF (pH 7.4): 47.27; (6)ACD/KOC (pH 5.5): 549.87; (7)ACD/KOC (pH 7.4): 549.87; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 81.62 cm³; (11)Molar Volume: 249.2 cm³; (12)Surface Tension: 43.8 dyne/cm; (13)Density: 1.14 g/cm³; (14)Flash Point: 167.5 °C; (15)Enthalpy of Vaporization: 70.8 kJ/mol; (16)Boiling Point: 449.3 °C at 760 mmHg; (17)Vapour Pressure: 2.88E-08 mmHg at 25°C.

Preparation of Androsta-4,6-diene-3,17-dione: this chemical can be prepared by androst-4-ene-3,17-dione. This reaction will need reagents chloranil, glac. HOAc and solvent toluene. The reaction time is 1 hour. The yield is about 81%.

Uses of Androsta-4,6-diene-3,17-dione: it can be used to produce 2-methylene-4,6-androstadiene-3,17-dione with formaldehyde by heating. This reaction will need reagent AcOH with reaction time of 5 hours. The yield is about 74%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC12CCC3C(C1CCC2=O)C=CC4=CC(=O)CCC34C
(2)Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=CC4=CC(=O)CC[C@]34C
(3)InChI: InChI=1S/C19H24O2/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/h3-4,11,14-16H,5-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
(4)InChIKey: YEWSFUFGMDJFFG-QAGGRKNESA-N