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Almestrone
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Name

Almestrone

 EINECS N/A
CAS No. 10448-96-1 Density 1.127g/cm3
PSA 37.30000 LogP 4.06340
Solubility N/A Melting Point 231-233 °C
Formula C19H24O2 Boiling Point 448.7 °C at 760 mmHg
Molecular Weight 284.398 Flash Point 191.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 10448-96-1 (Almestrone) Hazard Symbols N/A
Synonyms

Estra-1,3,5(10)-trien-17-one,3-hydroxy-7a-methyl- (8CI);7a-Methylestrone;Almestrone;NSC134712;SR 16279;U 24704;

Article Data 9

Almestrone Synthetic route

4-estrene-7α-methyl-3,17-dione

10448-96-1

7α-Methylestrone

Conditions
ConditionsYield
With oxygen; copper(ll) bromide In acetonitrile at 40℃; for 1.5 - 26h; Quantum yield;73%
With oxygen; copper dichloride In acetonitrile at 40℃; for 5h;52%
With copper(ll) bromide In acetinitrile at 40℃; for 18h;
10448-96-1

7α-Methylestrone

74-88-4

methyl iodide

4-methoxy 7α-methylestrone

Conditions
ConditionsYield
With potassium carbonate In dichloromethane; water; acetone100%
358-23-6

trifluoromethylsulfonic anhydride

10448-96-1

7α-Methylestrone

156078-51-2

7α-methyl-3-trifluoromethanesylfonyloxyestra-1,3,5(10)-trien-17-one

Conditions
ConditionsYield
With 2,6-dimethylpyridine In diethyl ether; dichloromethane at 0℃; for 0.666667h;96%
108-22-5

Isopropenyl acetate

10448-96-1

7α-Methylestrone

A

36014-09-2

7α-methylestrone acetate

B

28838-19-9

7α-methylestra-1,3,5(10),16-tetraene-3,17-diol diacetate

Conditions
ConditionsYield
With sulfuric acid for 2h; Heating;A 23%
B 54%
10448-96-1

7α-Methylestrone

146016-30-0

16α-bromo-3-hydroxy-7α-methylestra-1,3,5(10)-trien-17-one

Conditions
ConditionsYield
With copper(ll) bromide In chloroform; ethyl acetate for 3h; Heating;
Multi-step reaction with 3 steps
1: 54 percent / H2SO4 / 2 h / Heating
2: 65 percent / acetate buffer, Br2 / acetic acid; diethyl ether / 0.25 h / 0 °C
3: 74.5 percent / conc. H2SO4 / ethanol / Ambient temperature
View Scheme
10448-96-1

7α-Methylestrone

A

151160-22-4

4-fluoro-7α-methylestrone

B

151160-20-2

2-fluoro-7α-methylestrone

Conditions
ConditionsYield
With N-fluoropyridinium triflate In 1,1,2-trichloroethane Heating; Title compound not separated from byproducts;
10448-96-1

7α-Methylestrone

156078-53-4

16α-bromo-7α-methyl-3-trifluoromethanesulfonylestra-1,3,5(10)-trien-17-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 96 percent / 2,6-lutidine / CH2Cl2; diethyl ether / 0.67 h / 0 °C
2: 85 percent / conc. H2SO4 / 3.5 h / Heating
3: 77 percent / N-bromosuccinimide (NBS) / CCl4 / 21 h / Ambient temperature
View Scheme
10448-96-1

7α-Methylestrone

156078-52-3

7α-methyl-3-trifluoromethanesylfonyloxy-17-acetoxyestra-1,3,5(10),16-tetraene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 96 percent / 2,6-lutidine / CH2Cl2; diethyl ether / 0.67 h / 0 °C
2: 85 percent / conc. H2SO4 / 3.5 h / Heating
View Scheme
10448-96-1

7α-Methylestrone

(7R,8R,9S,13S,14S,16R,17S)-16-Fluoro-7,13-dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1: 96 percent / 2,6-lutidine / CH2Cl2; diethyl ether / 0.67 h / 0 °C
2: 85 percent / conc. H2SO4 / 3.5 h / Heating
3: 77 percent / N-bromosuccinimide (NBS) / CCl4 / 21 h / Ambient temperature
4: 58 percent / 1 N aq. NaOH / tetrahydrofuran / 1.5 h / Ambient temperature
5: 95 percent / 2,6-lutidine / CH2Cl2 / 0.67 h / 0 °C
6: 81 percent / (n-Bu)4NF / tetrahydrofuran / 0.17 h / Ambient temperature
7: 29 percent / KOH / methanol / 5 h / Ambient temperature
8: 27 percent / LiAlH4 / diethyl ether / 0.25 h / -78 °C
View Scheme
10448-96-1

7α-Methylestrone

(7R,8R,9S,13S,14S,16R,17R)-16-Fluoro-7,13-dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1: 96 percent / 2,6-lutidine / CH2Cl2; diethyl ether / 0.67 h / 0 °C
2: 85 percent / conc. H2SO4 / 3.5 h / Heating
3: 77 percent / N-bromosuccinimide (NBS) / CCl4 / 21 h / Ambient temperature
4: 58 percent / 1 N aq. NaOH / tetrahydrofuran / 1.5 h / Ambient temperature
5: 95 percent / 2,6-lutidine / CH2Cl2 / 0.67 h / 0 °C
6: 81 percent / (n-Bu)4NF / tetrahydrofuran / 0.17 h / Ambient temperature
7: 29 percent / KOH / methanol / 5 h / Ambient temperature
8: 66 percent / LiAlH4 / diethyl ether / 0.25 h / -78 °C
View Scheme

Almestrone Specification

The Almestrone ,its cas register number is 10448-96-1.It also can be called as 3-Hydroxy-7alpha-methylestra-1,3,5(10)-trien-17-one and the IUPAC name about this chemicals is 3-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one .

Following are the chemical properties about Almestrone :(1)#H bond acceptors: 2 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 1 ; (4)Polar Surface Area: 26.3Å2 ; (5)Index of Refraction: 1.57 ; (6)Molar Refractivity: 82.75 cm3 ; (7)Molar Volume: 252.1 cm3 ; (8)Polarizability: 32.8x10-24cm3 ; (9)Surface Tension: 42.2 dyne/cm ; (10)Enthalpy of Vaporization: 73.45 kJ/mol ; (11)Vapour Pressure: 1.14E-08 mmHg at 25°C

This chemicals can be described computed from structure:
(1)Canonical SMILES: CC1CC2=C(C=CC(=C2)O)C3C1C4CCC(=O)C4(CC3)C
(2)InChI: InChI=1S/C19H24O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h3-4,10-11,15-16,18,20H,5-9H2,1-2H3
(3)InChIKey: JUAJXSMWFOFDFC-UHFFFAOYSA-N

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