Basic information
- CAS
100858-27-3- Standard SMILES
C=C1CCC(O[Si](C)(C)C(C)(C)C)CC1=CCP(=O)(c1ccccc1)c1ccccc1- InChIKey
OFSDSMTXHBTJEI-UHFFFAOYSA-N- Molecular formula
- C27H37O2PSi
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.23004395
Names & identifiers
- Preferred name
- [2-(5-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylidenecyclohexylidene)ethyl](oxo)diphenyl-lambda~5~-phosphane
- IUPAC
- tert-butyl-[3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane
- English name
- tert-Butyl-{3-[2-(diphenyl-phosphinoyl)-ethylidene]-4-methylene-cyclohexyloxy}-dimethyl-silane
- Molecular formula
- C27H37O2PSi
- Molecular weight
- 452.64
Names & synonyms
tert-Butyl-{3-[2-(diphenyl-phosphinoyl)-ethylidene]-4-methylene-cyclohexyloxy}-dimethyl-silaneC27H37O2PSiPhosphine oxide,[(2Z)-2-[(5S)-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethyl]diphenyl-SCHEMBL7150724DTXSID40694902(S)-tert-Butyl-(3-[2-(diphenyl-phosphinoyl)-ethylidene]-4-methylene-cyclohexyloxy)-dimethyl-silaneDB-027677tert-butyl-[3-(2-diphenylphosphorylethylidene)-4-methylene-cyclohexoxy]-dimethyl-silane[2-(5-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylidenecyclohexylidene)ethyl](oxo)diphenyl-lambda~5~-phosphane[2-(5-{[tert-Butyldi(methyl)silyl]oxy}-2-methylidenecyclohexylidene)ethyl](oxo)di(phenyl)-lambda~5~-phosphane(S,Z)-(2-(5-((tert-butyldiMethylsilyl)oxy)-2-Methylenecyclohexylidene)ethyl)diphenylphosphine oxideA ring single TBS intermediate
Show more names
Secalciferol Related Compound 2Intermediate of ossification dioltert-Butyl-{3-[2-(diphenyl-phosphinoyl)-ethylidene]-4-methyl...
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 669
Physicochemical properties
- Melting point
- 94 · 94-96 °C
- Boiling point
- 507.2 · 507.2±50.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- solubility
- DCM, Methanol
- form
- Solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses[S-(Z)]-[2-[5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethyl]diphenylphosphine Oxide is an intermediate in the synthesis of Vitamin D3 derivatives.
Upstream & downstream products
Downstream products
Suppliers59 total
宁波振岳医药科技有限公司19817745290 · [email protected]
上海策嵘生物科技有限公司[email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
湖北研科时代科技有限公司15780669880 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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