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CAS No.: | 875573-69-6 |
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Name: | Estra-1,3,5(10)-triene-3,17-diol,7-[9-[(4,4,5,5,5-pentafluoropentyl)thio]nonyl]-,17-acetate,(7a,17b)- |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C34H49F5O3S |
Molecular Weight: | 632.819 |
Synonyms: | (7α,17β)-7-[9-(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra-1,3,5(10)- triene-3-diol-17oxyethyl; |
EINECS: | 1592732-453-0 |
Density: | 1.19 g/cm3 |
Boiling Point: | 631.4±55.0 °C(Predicted) |
PSA: | 71.83000 |
LogP: | 10.23790 |
(+)-(7α)-[9-bromononyl]estra-1,3,5(10)-triene-3-ol-17β-yl acetate
17-O-acetyl-S-deoxo-fulvestrant
Conditions | Yield |
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Stage #1: (+)-(7α)-[9-bromononyl]estra-1,3,5(10)-triene-3-ol-17β-yl acetate; C6H9F5N2S*ClH With potassium hydroxide In N,N-dimethyl-formamide at 0 - 10℃; for 1.5h; Stage #2: With acetic acid In ethyl acetate; N,N-dimethyl-formamide for 0.166667h; | 85% |
1-methanesulfonyloxy-4,4,5,5,5-pentafluoropentane
17-O-acetyl-S-deoxo-fulvestrant
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile for 48h; Inert atmosphere; Reflux; | 80% |
(+)-(7α)-[9-bromononyl]estra-1,3,5(10)-triene-3-ol-17β-yl acetate
4,4,5,5,5-pentafluoro-1-pentanethiol
17-O-acetyl-S-deoxo-fulvestrant
Conditions | Yield |
---|---|
With sodium hydroxide In N,N-dimethyl acetamide; water at 20℃; for 0.6h; Product distribution / selectivity; |
1-methanesulfonyloxy-4,4,5,5,5-pentafluoropentane
17-O-acetyl-S-deoxo-fulvestrant
Conditions | Yield |
---|---|
With sodium hydroxide In N,N-dimethyl acetamide; water at 20℃; for 1h; Product distribution / selectivity; |
17-O-acetyl-S-deoxo-fulvestrant
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: copper(I) bromide; lithium bromide / acetonitrile / 24 h / 20 °C 2: 2,2'-azobis(isobutyronitrile) / toluene / 1.5 h / Reflux 3: hydrazine hydrate / tetrahydrofuran / 4 h / 20 °C 4: potassium carbonate / acetonitrile / 48 h / Inert atmosphere; Reflux View Scheme |
17-O-acetyl-S-deoxo-fulvestrant
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 2,2'-azobis(isobutyronitrile) / toluene / 1.5 h / Reflux 2: hydrazine hydrate / tetrahydrofuran / 4 h / 20 °C 3: potassium carbonate / acetonitrile / 48 h / Inert atmosphere; Reflux View Scheme |
17-O-acetyl-S-deoxo-fulvestrant
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrazine hydrate / tetrahydrofuran / 4 h / 20 °C 2: potassium carbonate / acetonitrile / 48 h / Inert atmosphere; Reflux View Scheme |
19-nortestosterone
17-O-acetyl-S-deoxo-fulvestrant
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1.1: toluene-4-sulfonic acid / 1 h / Reflux 2.1: N-Bromosuccinimide / N,N-dimethyl-formamide; water / 1.25 h / 0 - 7 °C / Inert atmosphere 2.2: 2 h / 0 °C / Reflux; Inert atmosphere 3.1: copper(I) bromide / tetrahydrofuran / 0.75 h / -20 °C / Inert atmosphere 3.2: 0.5 h / -20 - 20 °C 4.1: copper(I) bromide; lithium bromide / acetonitrile / 24 h / 20 °C 5.1: 2,2'-azobis(isobutyronitrile) / toluene / 1.5 h / Reflux 6.1: hydrazine hydrate / tetrahydrofuran / 4 h / 20 °C 7.1: potassium carbonate / acetonitrile / 48 h / Inert atmosphere; Reflux View Scheme |
4,4,5,5,5-pentafluorpentan-1-ol
17-O-acetyl-S-deoxo-fulvestrant
Conditions | Yield |
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Multi-step reaction with 2 steps 1: triethylamine / acetonitrile / 4 h / 20 °C / Inert atmosphere 2: potassium carbonate / acetonitrile / 48 h / Inert atmosphere; Reflux View Scheme | |
Multi-step reaction with 3 steps 1: triethylamine / dichloromethane / 2 h / 20 °C / Cooling with ice 2: ethanol / Reflux 3: sodium hydroxide / water; methanol / 24 h / Inert atmosphere; Reflux View Scheme | |
Multi-step reaction with 3 steps 1.1: thionyl chloride; triethylamine / dichloromethane / 2 h / 0 - 20 °C 2.1: isopropyl alcohol / 80 - 85 °C 3.1: potassium hydroxide / N,N-dimethyl-formamide / 1.5 h / 0 - 10 °C 3.2: 0.17 h View Scheme |
3,17β-diacetoxy-estra-3,5-diene
17-O-acetyl-S-deoxo-fulvestrant
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1.1: N-Bromosuccinimide / N,N-dimethyl-formamide; water / 1.25 h / 0 - 7 °C / Inert atmosphere 1.2: 2 h / 0 °C / Reflux; Inert atmosphere 2.1: copper(I) bromide / tetrahydrofuran / 0.75 h / -20 °C / Inert atmosphere 2.2: 0.5 h / -20 - 20 °C 3.1: copper(I) bromide; lithium bromide / acetonitrile / 24 h / 20 °C 4.1: 2,2'-azobis(isobutyronitrile) / toluene / 1.5 h / Reflux 5.1: hydrazine hydrate / tetrahydrofuran / 4 h / 20 °C 6.1: potassium carbonate / acetonitrile / 48 h / Inert atmosphere; Reflux View Scheme |
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Following is the structure of (7alpha,17beta)-7-[9-(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra-1,3,5(10)- triene-3-diol-17oxyethyl (CAS NO.875573-69-6):
Empirical Formula: C34H49F5O3S
(7alpha,17beta)-7-[9-(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra-1,3,5(10)- triene-3-diol-17oxyethyl , its cas register number 875573-69-6. It also can be called (7α,17β)-7-[9-(4,4,5,5,5-pentafluoropentyl)thio]nonyl]estra-1,3,5(10)- triene-3-diol-17oxyethyl .