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CAS No.: | 4999-79-5 |
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Name: | 1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 3-SULFATE SODIUM SALT |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C18H24 O5 S . Na |
Molecular Weight: | 374.433 |
Synonyms: | Estra-1,3,5(10)-triene-3,17-diol(17b)-, 3-(hydrogen sulfate),monosodium salt (9CI); Estradiol, 3-(hydrogen sulfate), monosodium salt(6CI,7CI,8CI); 17b-Estradiolsodium sulfate |
Density: | g/cm3 |
Melting Point: | 207 °C |
Boiling Point: | °Cat760mmHg |
Flash Point: | °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-40 |
Safety: | 22-36 |
PSA: | 95.04000 |
LogP: | 3.82340 |
(17β)-3-(sulfooxy)estra-1,3,5(10)-trien-17-ol sodium salt
Conditions | Yield |
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With sodium azide In N,N-dimethyl-formamide at 70℃; Inert atmosphere; | 94% |
estradiol
sodium t-butanolate
(17β)-3-(sulfooxy)estra-1,3,5(10)-trien-17-ol sodium salt
Conditions | Yield |
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Stage #1: estradiol; sodium t-butanolate In tetrahydrofuran at 22℃; for 0.25h; Stage #2: With triethylamine sulfur trioxide In tetrahydrofuran for 0.5h; | 90% |
estradiol
p-nitrophenyl sulfate
A
4-nitro-phenol
B
(17β)-3-(sulfooxy)estra-1,3,5(10)-trien-17-ol sodium salt
Conditions | Yield |
---|---|
With arylsulfate sulfotransferase from Desulfitobacterium hafniense In aq. buffer at 30℃; pH=9; Green chemistry; Enzymatic reaction; regioselective reaction; | A n/a B 57% |
(17β)-3-(sulfooxy)estra-1,3,5(10)-trien-17-ol sodium salt
Conditions | Yield |
---|---|
With phosphate-buffer solution; platinum Hydrogenation; |