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| CAS No.: | 6615-00-5 |
|---|---|
| Name: | 11a-Hydroxy-estr-4-ene-3,17-dione |
| Molecular Structure: | |
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|
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| Formula: | C18H24 O3 |
| Molecular Weight: | 288.38 |
| Synonyms: | Estr-4-ene-3,17-dione,11a-hydroxy- (6CI,7CI,8CI);11a-Hydroxyestr-4-ene-3,17-dione; |
| Density: | 1.21 |
| Boiling Point: | 480°C at 760 mmHg |
| Flash Point: | 258.2°C |
| Solubility: | 792mg/L at 30℃ |
| PSA: | 54.37000 |
| LogP: | 2.66810 |
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| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; 3 A molecular sieve; zircornium(IV) n-propoxide In dichloromethane for 80h; | 85% |
| With chromium(VI) oxide In acetone |
- 6615-00-5
11α-hydroxy-estr-4-ene-3,17-dione
- 19108-87-3
11β-fluoro-estr-4-ene-3,17-dione
| Conditions | Yield |
|---|---|
| With C4F9SO2F; 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 24 - 30℃; for 2h; | 66% |
| With N-(2-chloro-1,1,2-trifluoroethyl)diethylamine In tetrahydrofuran | |
| With Nonafluorobutanesulfonyl fluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene In ethyl acetate at -40 - -35℃; Product distribution / selectivity; |
- 375-72-4
Nonafluorobutanesulfonyl fluoride
- 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene
- 6615-00-5
11α-hydroxy-estr-4-ene-3,17-dione
- 19108-87-3
11β-fluoro-estr-4-ene-3,17-dione
| Conditions | Yield |
|---|---|
| In toluene | |
| In toluene |
- 375-72-4
Nonafluorobutanesulfonyl fluoride
- 6674-22-2
1,8-diazabicyclo[5.4.0]undec-7-ene
- 6615-00-5
11α-hydroxy-estr-4-ene-3,17-dione
- 19108-87-3
11β-fluoro-estr-4-ene-3,17-dione
| Conditions | Yield |
|---|---|
| In toluene |
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Chemistry
Molecular structure of 11a-Hydroxy-estr-4-ene-3,17-dione (CAS NO.6615-00-5) is:
Product Name: 11a-Hydroxy-estr-4-ene-3,17-dione
CAS Registry Number: 6615-00-5
Systematic Name: (11alpha)-11-Hydroxyestr-4-ene-3,17-dione
Molecular Formula: C18H24O3
Molecular Weight: 288.38
Index of Refraction: 1.574
Molar Refractivity: 78.56 cm3
Molar Volume: 237.8 cm3
Surface Tension: 49.3 dyne/cm
Density: 1.21 g/cm3
Flash Point: 258.2 °C
Enthalpy of Vaporization: 85.79 kJ/mol
Boiling Point: 480 °C at 760 mmHg
Vapour Pressure: 3.16E-11 mmHg at 25 °C
SMILES: O=C4/C=C3/CC[C@@H]2[C@H]([C@H](O)C[C@@]1(C(=O)CC[C@H]12)C)[C@H]3CC4
InChI: InChI=1/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h8,12-15,17,20H,2-7,9H2,1H3/t12-,13-,14-,15+,17+,18-/m0/s1
InChIKey: VDCOSJPGDDQNJH-JVSYPLCOBD
Std. InChI: InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h8,12-15,17,20H,2-7,9H2,1H3/t12-,13-,14-,15+,17+,18-/m0/s1
Std. InChIKey: VDCOSJPGDDQNJH-JVSYPLCOSA-N
Specification
11a-Hydroxy-estr-4-ene-3,17-dione , its cas register number is 6615-00-5. It also can be called Estr-4-ene-3,17-dione,11-hydroxy-, (11a)- .