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CAS No.: | 33494-80-3 |
---|---|
Name: | Potassium di-tert-butylphosphate |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H18KO4P |
Molecular Weight: | 248.301 |
Synonyms: | Di-tert-butyl phosphate potassium salt; |
Melting Point: | 247-252°C |
Boiling Point: | 252.3°C at 760 mmHg |
Flash Point: | 106.4°C |
Appearance: | white to off-white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 68.40000 |
LogP: | 3.15520 |
di-tert-butyl phosphite
potassium di-tert-butylphosphate
Conditions | Yield |
---|---|
With pyridine; potassium dihydrogenphosphate; dihydrogen peroxide; potassium iodide In water; toluene; acetonitrile at 20℃; Inert atmosphere; | 81% |
With potassium permanganate; potassium hydrogencarbonate | |
With potassium permanganate; potassium hydrogencarbonate In water at 5 - 20℃; for 19h; |
di-tert-butyl phosphite
potassium di-tert-butylphosphate
Conditions | Yield |
---|---|
With potassium permanganate; potassium hydrogencarbonate In water at 0 - 20℃; for 1.5h; | |
Stage #1: di-tert-butyl phosphite With potassium permanganate; potassium hydrogencarbonate In water at 20℃; for 1.5h; Cooling with ice; Stage #2: With pyrographite In water at 60℃; for 0.25h; | 5 g |
With potassium permanganate; potassium hydrogencarbonate In water at 20℃; for 1.5h; | |
With potassium permanganate; potassium hydrogencarbonate In water at 60℃; for 1.5h; |
potassium di-tert-butylphosphate
phosphoric acid di-tert-butyl ester
Conditions | Yield |
---|---|
With hydrogenchloride In water at 0℃; | 98% |
With hydrogenchloride In water at 0℃; | |
With hydrogenchloride In water Cooling with ice; |
potassium di-tert-butylphosphate
A
dimethylsulfide
B
Di-t-butyl prenyl phosphate
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane for 48h; Heating; | A n/a B 97% |
chlorosulfuric acid chloromethyl ester
potassium di-tert-butylphosphate
di-tert-butyl chloromethyl phosphate
Conditions | Yield |
---|---|
Stage #1: potassium di-tert-butylphosphate With tetra(n-butyl)ammonium hydrogensulfate; sodium hydrogencarbonate In dichloromethane; water at 0℃; for 0.166667h; Stage #2: chlorosulfuric acid chloromethyl ester In dichloromethane; water at 20℃; for 20h; | 95.3% |
With potassium hydrogenphosphate trihydrate; tert-butyl methyl ether; tetra(n-butyl)ammonium hydrogensulfate In water at 0 - 20℃; for 2.41667h; | 94% |
With potassium hydrogenphosphate trihydrate; tetra(n-butyl)ammonium hydrogensulfate In tert-butyl methyl ether; water at 0 - 30℃; for 2.41667h; | 94% |
potassium di-tert-butylphosphate
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide In ethyl acetate at 41 - 71℃; for 4.16667h; Temperature; Solvent; Reagent/catalyst; Inert atmosphere; Large scale; | 88% |
With tetra-(n-butyl)ammonium iodide In ethyl acetate at 71℃; for 4.83333h; Solvent; Reagent/catalyst; Temperature; Inert atmosphere; | 88% |
potassium di-tert-butylphosphate
A
diphenyl sulfide
B
phosphoric acid butyl ester di-tert-butyl ester
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane at 20℃; for 5h; | A n/a B 85% |
potassium di-tert-butylphosphate
A
dimethylsulfide
B
Phosphoric acid di-tert-butyl ester (E)-3,7-dimethyl-octa-2,6-dienyl ester
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane for 30h; Heating; | A n/a B 78% |
potassium di-tert-butylphosphate
A
phosphoric acid di-tert-butyl ester ethyl ester
B
diphenyl sulfide
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane at 20℃; for 48h; | A 76% B n/a |
potassium di-tert-butylphosphate
Conditions | Yield |
---|---|
Stage #1: 2-(4-fluoro-2-methylphenoxy)-N-(1-(hydroxymethyl)-2-oxo-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)benzamide With methanesulfonyl chloride; N-ethyl-N,N-diisopropylamine In ethyl acetate at 5 - 15℃; for 4.33333h; Stage #2: potassium di-tert-butylphosphate With sodium iodide In ethyl acetate at 65 - 75℃; for 5h; | 75% |
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The Potassium di-tert-butylphosphate, with its CAS registry number 33494-80-3, is also called as Di-tert-butyl phosphate potassium salt. With its chemical formula of C8H18KO4P, this chemical should be stored in dry and cool environment.
The characteristics of this chemical are as below: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 54.57; (5)Exact Mass: 248.057977; (6)MonoIsotopic Mass: 248.057977; (7)Topological Polar Surface Area: 58.6; (8)Heavy Atom Count: 14; (9)Complexity: 196; (10)Covalently-Bonded Unit Count: 2.
In adddition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(C)(C)OP(=O)([O-])OC(C)(C)C.[K+]
(2)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
(3)InChIKey: ZSWXMOQFFWMZQH-UHFFFAOYSA-M