5150-62-9

Basic information

• Product Name: Bis(trimethylsilyl)estradiol
• Synonyms: 17β-Estradiol di(trimethylsilyl) ether;3,17β-Di(trimethylsilyloxy)estra-1,3,5(10)-triene;Bis(trimethylsilyl)estradiol
• CAS NO: 5150-62-9
• Molecular Formula: C24H40O2Si2
• Molecular Weight: 416.74
• Mol File: 5150-62-9.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Bis(trimethylsilyl)estradiol(CAS DataBase Reference)
• NIST Chemistry Reference: Bis(trimethylsilyl)estradiol(5150-62-9)
• EPA Substance Registry System: Bis(trimethylsilyl)estradiol(5150-62-9)

Safety Data

• Hazardous Substances Data: 5150-62-9(Hazardous Substances Data)

Upstream product

• 75-77-4 chloro-trimethyl-silane 
• 50-28-2 estradiol 
• 55898-44-7 4-bromo-3,17β-bis(trimethylsiloxy)estra-1,3,5(10)-triene 
• 55898-48-1 2-bromo-3,17β-bis(trimethylsiloxy)estra-1,3,5(10)-triene 
• 1630-83-7 4-bromo-β-estradiol 
• 24589-78-4 N-methyl-N-trimethylsilyl-2,2,2-trifluoroacetamide 
• 15833-07-5 2-bromoestradiol 

Relevant articles and documents

Collision induced dissociations of non-derivatized and trimethylsilyl-derivatized estradiols: Similarities in fragmentation patterns

Fragmentation mechanisms of estradiol and trimethylsilyl (TMS)-derivatized estradiol were studied by triple quadrupole tandem mass spectrometry (MSMS) and density functional theory (DFT) at B3LYP/6-311G(d,p) level. Collision induced dissociations (CID) of estradiol give product ions that are associated with the cleavage of B, C and D rings. Characteristic fragments from the cleavage of the aromatic ring A were not identified, and this was confirmed with both labeled estradiol and trimethylsilyl (TMS)-derivatized estradiol. The mechanisms are based on charge-site directed, radical-directed and charge remote fragmentations that are consistent with previous studies of steroids. CID spectra show ion pairs at m/z: 145/146, 157/158, 185/186, 211/213 and 225/226 with significant intensities, suggesting that these pairs are not from isotopic contributions. The mechanisms show similarities with some minor differences in the fragmentation patterns between the non-derivatized and the TMS-derivatized estradiol.

SILYLSTEROIDS III. SYNTHESIS OF 2- AND 4-(TRIMETHYLSILYL)ESTRADIOLS AND THEIR DERIVATIVES

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