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| CAS No.: | 3962-66-1 |
|---|---|
| Name: | 19-Norandrost-5(10)-ene-3,17-dione |
| Molecular Structure: | |
|
|
|
| Formula: | C18H24O2 |
| Molecular Weight: | 272.387 |
| Synonyms: | Estr-5(10)-ene-3,17-dione; |
| EINECS: | 223-564-1 |
| Density: | 1.13 g/cm3 |
| Melting Point: | 144-146 °C |
| Boiling Point: | 427.5 °C at 760 mmHg |
| Flash Point: | 159.7 °C |
| Solubility: | 24mg/L at 20℃ |
| PSA: | 34.14000 |
| LogP: | 3.84140 |
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| Conditions | Yield |
|---|---|
| With pyridine for 0.5h; Heating; | 82% |
| In pyridine at 50℃; for 1h; | 700 mg |
- 968-49-0
19-oxoandrostenedione
A
- 3962-66-1
estra-5(10)-en-3,17-dione
C
- 160617-57-2
(19R)-19-hydroxy-5β,19-cycloandrostane-3,17-dione
D
- 160617-58-3
(19S)-19-hydroxy-5β,19-cycloandrostane-3,17-dione
| Conditions | Yield |
|---|---|
| With acetic acid; zinc for 1.5h; Title compound not separated from byproducts; | A 3.3% B n/a C 62.5% D n/a |
| With acetic acid; zinc for 1.5h; | A 3.3% B n/a C 62.5% D n/a |
- 968-49-0
19-oxoandrostenedione
A
- 1089-78-7
17β-hydroxy-estr-5(10)-en-3-one
B
- 3962-66-1
estra-5(10)-en-3,17-dione
C
- 160617-57-2
(19R)-19-hydroxy-5β,19-cycloandrostane-3,17-dione
D
- 192373-63-0
(19R)-17β,19-dihydroxy-5β,19-cycloandrostan-3-one
| Conditions | Yield |
|---|---|
| With ammonia; lithium In tetrahydrofuran for 0.5h; | A 12% B 11% C 11% D 34% |
- 17976-32-8
3-methoxyestra-2,5(10)-dien-17-one
- 3962-66-1
estra-5(10)-en-3,17-dione
| Conditions | Yield |
|---|---|
| With methanol; acetic acid |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 60 percent / pyridinium dichromate / CH2Cl2 / 18 h / 20 °C 2: 3.3 percent / Zn, 50percent aq. AcOH / 1.5 h View Scheme | |
| Multi-step reaction with 2 steps 1: 7.3 g / Cr2O3, conc. H2SO4 / acetone / 0.5 h / 10 - 15 °C 2: 700 mg / pyridine / 1 h / 50 °C View Scheme |
| Conditions | Yield |
|---|---|
| With malonic acid In water; acetone at 20℃; for 4h; Temperature; Reagent/catalyst; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 130 °C 2.1: orthoformic acid triethyl ester; boron trifluoride diethyl etherate / 0.25 h / 25 °C 2.2: 5 h / 25 °C 3.1: ammonia; sodium hydroxide; lithium / tetrahydrofuran / 0.5 h / -78 - -50 °C 3.2: 1 h 4.1: malonic acid / acetone; water / 4 h / 20 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: orthoformic acid triethyl ester; boron trifluoride diethyl etherate / 0.25 h / 25 °C 1.2: 5 h / 25 °C 2.1: ammonia; sodium hydroxide; lithium / tetrahydrofuran / 0.5 h / -78 - -50 °C 2.2: 1 h 3.1: malonic acid / acetone; water / 4 h / 20 °C View Scheme |
- 28336-29-0
17,17-ethylenedioxy-3-methoxyoestra-1,3,5(10)-triene
- 3962-66-1
estra-5(10)-en-3,17-dione
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: ammonia; sodium hydroxide; lithium / tetrahydrofuran / 0.5 h / -78 - -50 °C 1.2: 1 h 2.1: malonic acid / acetone; water / 4 h / 20 °C View Scheme |
| Conditions | Yield |
|---|---|
| With copper(II) bis(trifluoromethanesulfonate); triphenylphosphine; N,N,N',N'-tetramethylguanidine In tetrahydrofuran at 20℃; for 17h; regioselective reaction; | 56% |
| (i) Na2CrO4, AcOH, (ii) SiO2; Multistep reaction; |
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Chemistry
Molecule structure of 19-Norandrost-5(10)-ene-3,17-dione (CAS NO.3962-66-1):
IUPAC Name: (8R,9S,13S,14S)-13-Methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Weight: 272.38196 g/mol
Molecular Formula: C18H24O2
Density: 1.13 g/cm3
Boiling Point: 427.5 °C at 760 mmHg
Flash Point: 159.7 °C
Index of Refraction: 1.555
Molar Refractivity: 76.85 cm3
Molar Volume: 239 cm3
Surface Tension: 43.4 dyne/cm
Enthalpy of Vaporization: 68.25 kJ/mol
Vapour Pressure: 1.63E-07 mmHg at 25 °C
XLogP3-AA: 1.9
H-Bond Acceptor: 2
Tautomer Count: 16
Exact Mass: 272.17763
MonoIsotopic Mass: 272.17763
Topological Polar Surface Area: 34.1
Heavy Atom Count: 20
Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3CCC(=O)C4
Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(=O)C4
InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-16H,2-10H2,1H3/t14-,15-,16+,18+/m1/s1
InChIKey: RORYLAUXKSWMQL-CBZIJGRNSA-N
EINECS: 223-564-1
Product Categories: Steroids
Uses
19-Norandrost-5(10)-ene-3,17-dione (CAS NO.3962-66-1) is used in pharmaceutical synthesis.
Specification
19-Norandrost-5(10)-ene-3,17-dione (CAS NO.3962-66-1) is also named as Oestr-5(10)-ene-3,17-dione .