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848-04-4

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Basic Information
CAS No.: 848-04-4
Name: Ethylmetrienone
Article Data: 25
Molecular Structure:
Molecular Structure of 848-04-4 (Ethylmetrienone)
Formula: C20H26O2
Molecular Weight: 298.425
Synonyms: 18-Methylestronemethyl ether;
Density: 1.084 g/cm3
Boiling Point: 439.883 °C at 760 mmHg
Flash Point: 185.526 °C
PSA: 26.30000
LogP: 4.51050
Related products
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
ConditionsYield
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
jones reagent

jones reagent

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
ConditionsYield
In water; isopropyl alcohol; acetone
797-63-7

levonorgestrel

848-04-4

dl-13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one

Conditions
ConditionsYield
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
ConditionsYield
In acetone Reflux;29 g
823-36-9

2-ethyl-1,3-cyclopentanedione

848-04-4

dl-13-ethyl-3-methoxygona-1,3,5(10)-trien-17-one

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
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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