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Cas Database |
| Name |
Ethylmetrienone |
EINECS | N/A |
| CAS No. | 848-04-4 | Density | 1.084 g/cm3 |
| PSA | 26.30000 | LogP | 4.51050 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H26O2 | Boiling Point | 439.883 °C at 760 mmHg |
| Molecular Weight | 298.425 | Flash Point | 185.526 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
18-Methylestronemethyl ether; |
Article Data | 25 |
Ethylmetrienone Synthetic route
- 3625-82-9
(+)-17β-hydroxy-13β-ethyl-3-methoxygona-1,3,5(10)-triene
- 848-04-4
dl-13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one
| Conditions | Yield |
|---|---|
| With tetrapropylammonium perruthennate; 4 A molecular sieve; 4-methylmorpholine N-oxide In dichloromethane for 0.5h; Ambient temperature; | 97% |
| With tetrapropylammonium perruthennate; 4 A molecular sieve; 4-methylmorpholine N-oxide In dichloromethane for 0.5h; | 95% |
| With chromium(VI) oxide; sulfuric acid In acetone |
- 3625-82-9
(+)-17β-hydroxy-13β-ethyl-3-methoxygona-1,3,5(10)-triene
- 848-04-4
dl-13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one
| Conditions | Yield |
|---|---|
| In water; isopropyl alcohol; acetone |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 98 percent / Ag2CO3, Celite / toluene / Heating 2: (NH4)2Ce(NO3)6, I2 / 2.5 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: 98 percent / Ag2CO3, Celite / toluene / Heating 2: 1) (NH4)2Ce(NO3)6, I2, 2) H2 / 2) 5percent Pd/CaCO3 / 1) reflux, 2.5 h, 2) ethyl acetate, 40 psi, overnight View Scheme | |
| Multi-step reaction with 4 steps 1: 98 percent / Ag2CO3, Celite / toluene / Heating 3: 85 percent / 1 N aq. KOH / tetrahydrofuran; methanol / 1 h / Ambient temperature 4: 97 percent / N-methylmorpholine N-oxide, tetrapropylammonium perruthenate, molecular sieves 4 Angstroem / CH2Cl2 / 0.5 h / Ambient temperature View Scheme |
- 6544-68-9
13β-ethyl-3-hydroxygona-1,3,5(10)-trien-17-one
- 77-78-1
dimethyl sulfate
- 848-04-4
dl-13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one
| Conditions | Yield |
|---|---|
| In acetone Reflux; | 29 g |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 8 steps 1: triethylenediamine / xylene 2: aq. HCl / methanol 3: NaBH4 / methanol 4: H2 / Raney-Ni / dioxane 5: Py 6: KOH / methanol 7: Li, liq. NH3 / diethyl ether; dioxane 8: CrO3, aq. H2SO4 / acetone View Scheme |
- 848-07-7
(+/-)-13-ethyl-3-methoxygona-1,3,5(10),8,14-pentaen-17-one
- 848-04-4
dl-13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: NaBH4 / methanol 2: H2 / Raney-Ni / dioxane 3: Py 4: KOH / methanol 5: Li, liq. NH3 / diethyl ether; dioxane 6: CrO3, aq. H2SO4 / acetone View Scheme |
- 850-92-0
2-[2-(3,4-dihydro-6-methoxy-1(2H)-naphthalenylidene)ethyl]-2-ethyl-1,3-cyclopentanedione
- 848-04-4
dl-13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 7 steps 1: aq. HCl / methanol 2: NaBH4 / methanol 3: H2 / Raney-Ni / dioxane 4: Py 5: KOH / methanol 6: Li, liq. NH3 / diethyl ether; dioxane 7: CrO3, aq. H2SO4 / acetone View Scheme |
- 2911-80-0, 14507-45-0, 15419-27-9, 24508-13-2
dl-3-Methoxy-13β-ethyl-gona-1,3,5(10),8,14-pentaen-17β-ol
- 848-04-4
dl-13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: H2 / Raney-Ni / dioxane 2: Py 3: KOH / methanol 4: Li, liq. NH3 / diethyl ether; dioxane 5: CrO3, aq. H2SO4 / acetone View Scheme |
- 21800-83-9
13β-ethyl-gon-4-en-3,17-dione
- 848-04-4
dl-13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 2: 85 percent / 1 N aq. KOH / tetrahydrofuran; methanol / 1 h / Ambient temperature 3: 97 percent / N-methylmorpholine N-oxide, tetrapropylammonium perruthenate, molecular sieves 4 Angstroem / CH2Cl2 / 0.5 h / Ambient temperature View Scheme | |
| Multi-step reaction with 2 steps 1: lithium bromide; copper(I) bromide / acetonitrile / 17 h / 5 - 25 °C / Inert atmosphere 2: acetone / Reflux View Scheme |
- 7443-72-3
18-methyl-3-methoxy-1,3,5(10),8-estratetraen-17β-ol
- 848-04-4
dl-13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Li, liq. NH3, PhNH2 / tetrahydrofuran 2: CrO3, aq. H2SO4 / acetone View Scheme | |
| Multi-step reaction with 2 steps 1: Li, liq. NH3 / diethyl ether; dioxane 2: CrO3, aq. H2SO4 / acetone View Scheme |
Ethylmetrienone Specification
The Ethylmetrienone with its cas register number is 848-04-4. It also can be called as 13-Ethyl-3-methoxygona-1,3,5(10)-trien-17-one and the Systematic name about this chemical is (8R,9S,13S,14S)-13-ethyl-3-methoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Physical properties about Ethylmetrienone are: (1)ACD/LogP: 4.97; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 2964; (5)ACD/BCF (pH 7.4): 2964; (6)ACD/KOC (pH 5.5): 10637; (7)ACD/KOC (pH 7.4): 10637; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 87.462 cm3; (13)Molar Volume: 275.301 cm3; (14)Polarizability: 34.673x10-24cm3; (15)Surface Tension: 39.057 dyne/cm; (16)Enthalpy of Vaporization: 69.692 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC12CCC3c4ccc(cc4CCC3C1CCC2=O)OC
(2)InChI: InChI=1/C20H26O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,16-18H,3-4,6,8-11H2,1-2H3/t16-,17-,18+,20+/m1/s1
(3)InChIKey: FHJVQLWFUQMADH-XSYGEPLQBF
(4)Std. InChI: InChI=1S/C20H26O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,16-18H,3-4,6,8-11H2,1-2H3/t16-,17-,18+,20+/m1/s1
(5)Std. InChIKey: FHJVQLWFUQMADH-XSYGEPLQSA-N
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