Potassium di-tert-butylphosphate supplier

Name
Potassium di-tert-butylphosphate
EINECS
CAS No. 33494-80-3
Article Data7
CAS DataBase
Density
Solubility
Melting Point 247-252°C
Formula C₈H₁₈KO₄P
Boiling Point 252.3°C at 760 mmHg
Molecular Weight 248.301
Flash Point 106.4°C
Transport Information
Appearance white to off-white powder
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Di-tert-butyl phosphate potassium salt;
PSA 68.40000
LogP 3.15520

Synthetic route

: 13086-84-5
di-tert-butyl phosphite

: 33494-80-3
potassium di-tert-butylphosphate

Conditions

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;

: 13086-84-5
di-tert-butyl phosphite

: 33494-80-3
potassium di-tert-butylphosphate

Conditions

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;

: 33494-80-3
potassium di-tert-butylphosphate

: 33494-81-4
phosphoric acid di-tert-butyl ester

Conditions

Conditions	Yield
With hydrogenchloride In water at 0℃;	98%
With hydrogenchloride In water at 0℃;
With hydrogenchloride In water Cooling with ice;

: 33494-80-3
potassium di-tert-butylphosphate

: Dimethyl-(3-methyl-2-butenyl)-sulfonium tetrafluoroborate

A: 75-18-3
dimethylsulfide

B: 82753-91-1
Di-t-butyl prenyl phosphate

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane for 48h; Heating;	A n/a B 97%

...Expand

: 49715-04-0
chlorosulfuric acid chloromethyl ester

: 33494-80-3
potassium di-tert-butylphosphate

: 229625-50-7
di-tert-butyl chloromethyl phosphate

Conditions

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%

: N-(1-(chloromethyl)-2-oxo-1,2-dihydropyridin-4-yl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide

: 33494-80-3
potassium di-tert-butylphosphate

: di-tert-butyl ((4-(2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamido)-2-oxopyridin-1(2H)-yl)methyl) phosphate

Conditions

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%

: 33494-80-3
potassium di-tert-butylphosphate

: n-Butyldiphenylsulfoniumtetrafluoroborat

A: 139-66-2
diphenyl sulfide

B: 58389-60-9
phosphoric acid butyl ester di-tert-butyl ester

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at 20℃; for 5h;	A n/a B 85%

...Expand

: 33494-80-3
potassium di-tert-butylphosphate

: tetrafluoroborate de dimethylgeranylsulfonium

A: 75-18-3
dimethylsulfide

B: 82771-12-8
Phosphoric acid di-tert-butyl ester (E)-3,7-dimethyl-octa-2,6-dienyl ester

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane for 30h; Heating;	A n/a B 78%

...Expand

: diphenylethylsulphonium tetrafluoroborate

: 33494-80-3
potassium di-tert-butylphosphate

A: 14540-31-9
phosphoric acid di-tert-butyl ester ethyl ester

B: 139-66-2
diphenyl sulfide

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at 20℃; for 48h;	A 76% B n/a

...Expand

: 2-(4-fluoro-2-methylphenoxy)-N-(1-(hydroxymethyl)-2-oxo-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)benzamide

: 33494-80-3
potassium di-tert-butylphosphate

tert-butyl ((4-(2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamido)-2-oxopyridin-1(2H)-yl)methyl) hydrogen phosphate: tert-butyl ((4-(2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamido)-2-oxopyridin-1(2H)-yl)methyl) hydrogen phosphate

Conditions

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%

: diphenylisopropylsulfonium tetrafluoroborate

: 33494-80-3
potassium di-tert-butylphosphate

A: 139-66-2
diphenyl sulfide

B: 68695-42-1
phosphoric acid di-tert-butyl ester isopropyl ester

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane for 42h; Heating;	A n/a B 72%

...Expand

: C22H22BrCl2N5O2

: 33494-80-3
potassium di-tert-butylphosphate

: (3-((5-bromo-8-chloro-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-4,6-dimethyl-2-oxopyridin-1(2H)-yl)methyl di-tert-butyl phosphate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; triethylamine In N,N-dimethyl-formamide at 20℃; for 72h; Cooling with ice;	64%

: N-[1-(chloromethyl)-2-oxo-1,2-dihydropyridin-4-yl]-2-[4-fluoro-2-(methyl-d3)phenoxy]-4-(trifluoromethyl)benzamide

: 33494-80-3
potassium di-tert-butylphosphate

: di-tert-butyl ((4-(2-(4-fluoro-2-(methyl-d3)phenoxy)-4-(trifluoromethyl)benzamido)-2-oxopyridin-1(2H)-yl)methyl) phosphate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In ethyl acetate at 70℃; for 3h;	60%

: benzyl 6-[8-[chloromethoxycarbonyl(methyl)amino]-5-cyano-6-fluoro-4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

: 33494-80-3
potassium di-tert-butylphosphate

: benzyl 6-[5-cyano-8-[di-tert-butoxyphosphoryloxymethoxycarbonyl(methyl)amino]-6-fluoro-4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

Conditions

Conditions	Yield
In toluene at 90℃; for 2h;	57.9%

: 2-iodoethyl 4-((2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxamido)-3-methoxybenzoate

: 33494-80-3
potassium di-tert-butylphosphate

: 2-(di-tert-butoxyphosphoryloxy)ethyl 4-((2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxamido)-3-methoxybenzoate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 60℃; for 6h;	54%

: 33494-80-3
potassium di-tert-butylphosphate

: 540-51-2
2-bromoethanol

: 54857-40-8
di-tert-butyl (2-hydroxyethyl) phosphate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 80℃;	52.3%

: 2-(chloromethyl)-3-methyl-5-(2-methyl-4-(6-(trifluoromethyl)quinazolin-2-yl)phenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one

: 33494-80-3
potassium di-tert-butylphosphate

: di-tert-butyl (3-methyl-5-(2-methyl-4-(6-(trifluoromethyl)quinazolin-2-yl)phenyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl phosphate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 50℃; for 72h; Inert atmosphere;	50.22%

: 12129-06-5
Cp*TiCl3

: 33494-80-3
potassium di-tert-butylphosphate

C46H81O14P3Ti3: C46H81O14P3Ti3

Conditions

Conditions	Yield
In tetrahydrofuran at 25℃; for 24h;	46%

: 1620846-08-3
2-(4-fluorophenoxy)-N-(2-oxo-1,2-dihydropyridin-4-yl)-5-(trifluoromethyl)benzamide

: 33494-80-3
potassium di-tert-butylphosphate

: 22128-62-7
carbonochloridic acid, chloromethyl ester

: di-tert-butyl [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1-pyridyl]methyl phosphate

Conditions

Conditions	Yield
Stage #1: 2-(4-fluorophenoxy)-N-(2-oxo-1,2-dihydropyridin-4-yl)-5-(trifluoromethyl)benzamide; carbonochloridic acid, chloromethyl ester In dichloromethane; N,N-dimethyl-formamide at 20℃; for 4h; Stage #2: potassium di-tert-butylphosphate With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 70℃; for 4h;	43.7%

...Expand

Potassium di-tert-butylphosphate Specification

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

Product Name

Potassium di-tert-butylphosphate

Synthetic route

Potassium di-tert-butylphosphate Specification

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