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| CAS No.: | 5571-36-8 |
|---|---|
| Name: | Estradiene dione-3-keta |
| Molecular Structure: | |
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| Formula: | C20H26O3 |
| Molecular Weight: | 314.425 |
| Synonyms: | Estra-5(10),9(11)-diene-3,17-dione,cyclic 3-(ethylene acetal) (7CI,8CI);Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane],estra-5(10),9(11)-diene-3,17-dione deriv.;3,3-(Ethylenedioxy)estra-5(10),9(11)-dien-17-one;Estra-5(10),9(11)-diene-3,17-dione,cyclic 3-(1,2-ethanediyl acetal); |
| EINECS: | 427-230-8 |
| Density: | 1.2 g/cm3 |
| Melting Point: | 152-154 °C |
| Boiling Point: | 488.1 °C at 760 mmHg |
| Flash Point: | 241.2 °C |
| Solubility: | 903μg/L at 25℃ |
| Appearance: | off-white solid |
| PSA: | 35.53000 |
| LogP: | 3.93550 |
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- 53303-91-6
(8S,13S,14S,17S)-13-methyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol
- 5571-36-8
ethylene deltenone
| Conditions | Yield |
|---|---|
| With tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide In dichloromethane for 0.25h; Ambient temperature; | 99.3% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid; orthoformic acid triethyl ester; pyridinium chlorochromate 2.) CH2Cl2; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: NaBH4 / tetrahydrofuran; methanol / -10 °C 2: 1.) (EtO)3CH, pTsOH, 2.) pyridinium chlorochromate / 2.) CH2Cl2 View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 92 percent / H2SO4 / benzene; CH2Cl2 / 2.5 h / Heating 2: 99.3 percent / N-methylmorpholine N-oxide, (nC3H7)4NRuO4 / CH2Cl2 / 0.25 h / Ambient temperature View Scheme |
- 5571-36-8
ethylene deltenone
- 53303-91-6
(8S,13S,14S,17S)-13-methyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In tetrahydrofuran; methanol at 0 - 25℃; for 1.5h; Inert atmosphere; | 100% |
| With sodium tetrahydroborate In methanol for 0.25h; Ambient temperature; | 98% |
| With sodium hydroxide; sodium tetrahydroborate In methanol; water at 2℃; for 2.08333h; | |
| With potassium borohydride; butan-1-ol at 30℃; Reagent/catalyst; Temperature; | 9.3 g |
| With sodium tetrahydroborate In tetrahydrofuran; methanol at 0 - 20℃; for 1.5h; |
- 37595-74-7
N,N-phenylbistrifluoromethane-sulfonimide
- 5571-36-8
ethylene deltenone
- 866004-28-6
17-[[(trifluoromethyl)sulfonyl]oxy]estra-5(10),9(11),16-trien-3-one cyclic 1,2-ethanediyl acetal
| Conditions | Yield |
|---|---|
| Stage #1: ethylene deltenone With lithium hexamethyldisilazane In tetrahydrofuran at -15℃; for 0.5h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at 0℃; for 3h; Further stages.; | 100% |
| Stage #1: ethylene deltenone With lithium hexamethyldisilazane In tetrahydrofuran at -40 - -15℃; for 0.5h; Stage #2: N,N-phenylbistrifluoromethane-sulfonimide In tetrahydrofuran at -15 - 0℃; for 3h; Stage #3: With sodium hydrogencarbonate In tetrahydrofuran; water | 100% |
- 5571-36-8
ethylene deltenone
- 5490-76-6
(8S,13S,14S,17R)-17-ethynyl-13-methyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2’-[1,3]dioxolan]-17-ol
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 0℃; | 100% |
- 5571-36-8
ethylene deltenone
| Conditions | Yield |
|---|---|
| With methanol; sodium tetrahydroborate at 20℃; | 100% |
| With methanol; sodium tetrahydroborate In tetrahydrofuran at 0 - 20℃; for 1.5h; | 100% |
| With methanol; sodium tetrahydroborate In tetrahydrofuran at 0 - 20℃; for 1.5h; |
- 1066-26-8
sodium acetylide
- 5571-36-8
ethylene deltenone
- 5490-76-6
(8S,13S,14S,17R)-17-ethynyl-13-methyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2’-[1,3]dioxolan]-17-ol
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at -2 - 0℃; for 6.5h; Inert atmosphere; Industrial scale; | 99% |
| In tetrahydrofuran at -2 - 0℃; for 6h; Inert atmosphere; Large scale; | 99% |
| In tetrahydrofuran at 0℃; for 1h; Inert atmosphere; | 95% |
- 354-64-3
Pentafluoroethyl iodide
- 5571-36-8
ethylene deltenone
- 1421036-65-8
3,3-ethylenedioxy-17β-hydroxy-17-(1,1,2,2,2-pentafluoroethyl)-estra-5(10),9(11)-diene
| Conditions | Yield |
|---|---|
| Stage #1: Pentafluoroethyl iodide; ethylene deltenone In toluene at -78℃; for 0.166667h; Stage #2: With methyllithium lithium bromide In diethyl ether; toluene at -78 - 0℃; for 2.08333h; | 85% |
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Specification
Estradiene dione-3-keta(CAS NO.5571-36-8), its Synonyms are Cyclic-3-(1,2-ethanediyl acetal)-estra-5(10),9(11)-dien-3,17-dione; 3-Ethylenedioxy-estra-5(10),9(11)-diene-17-one; Estradiene. It is off-white solid. Estradiene dione-3-keta is used as mifepristone intermediate; antiprogestational antiglucocorticoid antagonist steroidal spirooxazole.
Physical properties about Estradiene dione-3-keta are: (1)ACD/LogP: 1.717; (2)ACD/LogD (pH 5.5): 1.72; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 11.88; (5)ACD/BCF (pH 7.4): 11.88; (6)ACD/KOC (pH 5.5): 204.68; (7)ACD/KOC (pH 7.4): 204.68; (8)#H bond acceptors: 3; (9)Index of Refraction: 1.582 ; (10)Molar Refractivity: 87.151 cm3; (11)Molar Volume: 261.018 cm3; (12)Polarizability: 34.549 10-24cm3; (13)Surface Tension: 46.6419982910156 dyne/cm ; (14)Density: 1.205 g/cm3; (15)Flash Point: 241.25 °C; (16)Enthalpy of Vaporization: 75.417 kJ/mol; (17)Boiling Point: 488.126 °C at 760 mmHg