Grundinformationen
- Standard-SMILES
CC(C)(C)OP(=O)([O-])OC(C)(C)C.[K+]- InChIKey
ZSWXMOQFFWMZQH-UHFFFAOYSA-M- Summenformel
- C8H18KO4P
- Durchschnittliche Molmasse
- 248,3 g/mol
- Monoisotopische Masse
- 248,05797753
Namen und Bezeichner
- Bevorzugter Name
- Potassium di-tert-butyl phosphate
- IUPAC
- potassium ditert-butyl phosphate
- Englischer Name
- Potassium di-tert-butyl phosphate
- Summenformel
- C8H18KO4P
- Molmasse
- 248.3
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
33494-80-3- PubChem CID
- 23674467
- DTXSID
DTXSID20635479- UNII
- FN2DBW7ZF9
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 58,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 196
Physikochemische Eigenschaften
- Schmelzpunkt
- 247 · 247-252°C
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Powder
- Farbe
- white
- InChI
- InChI=1S/C8H19O4P.K/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10);/q;+1/p-1
- InChIKey
- ZSWXMOQFFWMZQH-UHFFFAOYSA-M
- SMILES
- [K+].P([O-])(OC(C)(C)C)(OC(C)(C)C)=O
- CAS Datenbank
- 33494 · 33494-80-3
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- tsca
- No
- hs_code
- 2919900090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenDi-tert-butylphosphate Potassium Salt is a catalyst used in organic synthesis. Also used in the preparation of HIV attachment inhibitor BMS-663068.
Darstellung
synthetischePotassium di-tert-butyl phosphate synthesis: Di-tert-butyl phosphite (40.36 mmol) was combined with potassium bicarbonate (24.22 mmol) in 35 ml of water. The solution was stirred in an ice bath and potassium permanganate (28.25 mmole) was added in three equal portions over a period of one hour. The reaction was then allowed to continue for another half hour at room temperature. Decolorizing carbon (600 mg) was then incorporated as the reaction was heated to 60 °C for 15 min. The reaction was then vacuum filtered to remove solid magnesium dioxide. The solid was washed several times with water. The filtrate was then combined with one gram of decolorizing carbon and heated at 60°C for another twenty minutes. The solution was filtered again to give a colorless solution, which was then evaporated in vacuo to give the crude potassium di-tert-butyl phosphate salt.
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