(2-((3R,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-4-methylenecyclohexylidene)ethyl)diphenylphosphine Oxide
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Basic information
- CAS
213250-64-7- Standard SMILES
C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(=CCP(=O)(c2ccccc2)c2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C- InChIKey
VPIXCEWVXNLQCR-FIRIVFDPSA-N- Molecular formula
- C33H51O3PSi2
- Average molar mass
- 582.9 g/mol
- Monoisotopic mass
- 582.31143555
Names & identifiers
- Preferred name
- (2-((3R,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-4-methylenecyclohexylidene)ethyl)diphenylphosphine Oxide
- IUPAC
- tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
- English name
- [2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-methylenecyclohexylidene]ethyl]diphenylphosphine oxide
- Molecular formula
- C33H51O3PSi2
- Molecular weight
- 582.9
Names & synonyms
213250-64-7(2-((3R,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-4-methylenecyclohexylidene)ethyl)diphenylphosphine OxideSCHEMBL2687927Vitamin D intermidate A cyclePhosphine oxide, [2-[(3R,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-4-methylenecyclohexylidene]ethyl]diphenyl-
Database identifiers
- CAS
213250-64-7- PubChem CID
- 11678702
- Nikkaji
- J2.321.395H
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 848
Physicochemical properties
- Boiling point
- 575 · 575.0±50.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
Chemistry & industry
Applications
Uses(2-((3R,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-4-methylenecyclohexylidene)ethyl)diphenylphosphine Oxide is an intermediate used in the preparation of vitamin D3 analogs
Related reactions
0 records
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Compound notes
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