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Name	11a-Hydroxy-estr-4-ene-3,17-dione	EINECS	N/A
CAS No.	6615-00-5	Density	1.21
PSA	54.37000	LogP	2.66810
Solubility	792mg/L at 30℃	Melting Point	N/A
Formula	C18H24 O3	Boiling Point	480°C at 760 mmHg
Molecular Weight	288.38	Flash Point	258.2°C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Estr-4-ene-3,17-dione,11a-hydroxy- (6CI,7CI,8CI);11a-Hydroxyestr-4-ene-3,17-dione;

11a-Hydroxy-estr-4-ene-3,17-dione Synthetic route

: 6615-00-5
11α-hydroxy-estr-4-ene-3,17-dione

: 6615-01-6
estr-4-ene-3,11,17-trione

Conditions

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

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

Conditions	Yield
In toluene
In toluene

: ethyl acetate n-hexane

: 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

Conditions	Yield
In toluene

11a-Hydroxy-estr-4-ene-3,17-dione Chemical Properties

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

11a-Hydroxy-estr-4-ene-3,17-dione 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)- .

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