Product Name

  • Name

    Potassium tert-butoxide

  • EINECS 212-740-3
  • CAS No. 865-47-4
  • Article Data22
  • CAS DataBase
  • Density 0.910g/mLat 20°C
  • Solubility reacts with water
  • Melting Point 256-258 °C (dec.)(lit.)
  • Formula C4H9KO
  • Boiling Point 84.6 °C at 760 mmHg
  • Molecular Weight 112.213
  • Flash Point 11.7 °C
  • Transport Information UN 3274 3/PG 2
  • Appearance white crystalline powder
  • Safety 16-26-36/37/39-43-45-7/9-8-43-33-27-29
  • Risk Codes 11-19-22-34-35-14-20-36/37
  • Molecular Structure Molecular Structure of 865-47-4 (Potassium tert-butoxide)
  • Hazard Symbols FlammableF,CorrosiveC,IrritantXi
  • Synonyms tert-Butoxide, potassium;Potassium tert-butanolate;potassium 2-methylpropan-2-olate;2-Propanol, 2-methyl-, potassium salt;Potasssium tert-Butoxide;Potassiumtert-butoxide;Potassium-Tert-Butoxide;Potassium tert.-butoxide;
  • PSA 23.06000
  • LogP 1.21540

Synthetic route

tert-butyl alcohol
75-65-0

tert-butyl alcohol

potassium tert-butylate
865-47-4

potassium tert-butylate

Conditions
ConditionsYield
With potassium amalgam; catalyst comprising porous iron for 2.2h; Conversion of starting material;
With potassium amalgam; catalyst comprising porous iron for 1.7h; Conversion of starting material;
With potassium amalgam; nonporous iron for 15h; Conversion of starting material;
2-phenethyl iodide
17376-04-4

2-phenethyl iodide

potassium tert-butylate
865-47-4

potassium tert-butylate

styrene
292638-84-7

styrene

Conditions
ConditionsYield
In tert-butyl alcohol at 40℃; Rate constant; Mechanism; secondary α-deuterium isotope effects investigated;100%
1-fluoro-2-phenylethane
458-87-7

1-fluoro-2-phenylethane

potassium tert-butylate
865-47-4

potassium tert-butylate

styrene
292638-84-7

styrene

Conditions
ConditionsYield
18-crown-6 ether In tert-butyl alcohol at 40℃; Rate constant; Mechanism; secondary α-deuterium isotope effects investigated; also in absence of catalyst;100%
potassium tert-butylate
865-47-4

potassium tert-butylate

2-phenylethyl chloride
622-24-2

2-phenylethyl chloride

styrene
292638-84-7

styrene

Conditions
ConditionsYield
18-crown-6 ether In tert-butyl alcohol at 40℃; Rate constant; Mechanism; secondary α-deuterium isotope effects investigated; also in absence of catalyst;100%
potassium tert-butylate
865-47-4

potassium tert-butylate

1-phenyl-2-bromoethane
103-63-9

1-phenyl-2-bromoethane

styrene
292638-84-7

styrene

Conditions
ConditionsYield
In tert-butyl alcohol at 40℃; Rate constant; Mechanism; secondary α-deuterium isotope effects investigated;100%
potassium tert-butylate
865-47-4

potassium tert-butylate

4-chlorobenzoyl chloride
586-75-4

4-chlorobenzoyl chloride

tert-butyl-4-bromobenzoate
59247-47-1

tert-butyl-4-bromobenzoate

Conditions
ConditionsYield
In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere;100%
In diethyl ether for 1h; Substitution;95%
In tetrahydrofuran at -78 - 20℃; for 2h;95%
potassium tert-butylate
865-47-4

potassium tert-butylate

benzylmercury(II) chloride
2117-39-7

benzylmercury(II) chloride

phosphonic acid diethyl ester
762-04-9

phosphonic acid diethyl ester

dibenzylmercury(II)
780-24-5

dibenzylmercury(II)

Conditions
ConditionsYield
In dimethyl sulfoxide Hg deriv. adding to a stirred soln. of potassium tert-butoxide and diethyl phosphite in N2-purged DMSO, stirring for 5 min;100%
In dimethyl sulfoxide Hg deriv. adding to a stirred soln. of potassium tert-butoxide and diethyl phosphite in N2-purged DMSO, stirring for 39.5 h;51%
...Expand
C14H25B9N2

C14H25B9N2

potassium tert-butylate
865-47-4

potassium tert-butylate

C14H24B9N2(1-)*K(1+)

C14H24B9N2(1-)*K(1+)

Conditions
ConditionsYield
In tetrahydrofuran for 0.5h;100%
tert-butyl 4-(2,6-dichloro-4-pyridyl)pyrrolo[2,3-b]pyridine-1-carboxylate

tert-butyl 4-(2,6-dichloro-4-pyridyl)pyrrolo[2,3-b]pyridine-1-carboxylate

potassium tert-butylate
865-47-4

potassium tert-butylate

4-(2-tert-butoxy-6-chloro-4-pyridyl)-1H-pyrrolo[2,3-b]pyridine

4-(2-tert-butoxy-6-chloro-4-pyridyl)-1H-pyrrolo[2,3-b]pyridine

Conditions
ConditionsYield
Stage #1: tert-butyl 4-(2,6-dichloro-4-pyridyl)pyrrolo[2,3-b]pyridine-1-carboxylate; potassium tert-butylate In toluene at 100℃; for 5h;
Stage #2: With hydrogenchloride In water; toluene for 0.166667h;		100%
2,3-dichloropyrazine
4858-85-9

2,3-dichloropyrazine

potassium tert-butylate
865-47-4

potassium tert-butylate

2-(tert-butoxy)-3-chloropyrazine

2-(tert-butoxy)-3-chloropyrazine

Conditions
ConditionsYield
In tetrahydrofuran for 1h; Inert atmosphere; Cooling with ice;100%
C12H7ClINO

C12H7ClINO

potassium tert-butylate
865-47-4

potassium tert-butylate

tert-butyl (4-chloro-2-iodophenyl)(propa-1,2-dien-1-yl)carbamate

tert-butyl (4-chloro-2-iodophenyl)(propa-1,2-dien-1-yl)carbamate

Conditions
ConditionsYield
In tetrahydrofuran at -78℃; for 2h; Inert atmosphere;100%
potassium tert-butylate
865-47-4

potassium tert-butylate

1,1,4,4-tertakis(trimethylsilyl)octamethylcyclohexasilane
99548-02-4

1,1,4,4-tertakis(trimethylsilyl)octamethylcyclohexasilane

C17H51Si9(1-)*K(1+)

C17H51Si9(1-)*K(1+)

Conditions
ConditionsYield
In 1,2-dimethoxyethane at 20℃; for 2h; Inert atmosphere;100%
potassium tert-butylate
865-47-4

potassium tert-butylate

C35H45FeN4O2(1+)*I(1-)

C35H45FeN4O2(1+)*I(1-)

C39H54FeN4O3

C39H54FeN4O3

Conditions
ConditionsYield
In benzene-d6 for 0.333333h; Inert atmosphere;100%

Potassium tert-butanolate Specification

The Potassium tert-butanolate, with the CAS registry number 865-47-4,is also known as Potassium tert-butylate; Potassium tert-butoxide; KtB. It belongs to the product categories of Solution Deposition Precursors;Synthetic Reagents.Its EINECS number is 212-740-3. This chemical's molecular formula is C4H9KO and molecular weight is 112.20. What's more,Its systematic name is Potassium 2-methyl-2-propanolate.It is a white crystalline powder which is Stable,incompatible with water,acids,halogenated hydrocarbons,alcohols,strong oxidizing agents,ketones,carbon dioxide,but it reacts violently with water and acids, possibly leading to fire.

Physical properties about Potassium tert-butanolate are:
(1)ACD/LogP:  0.509; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  0.51; (4)ACD/LogD (pH 7.4):  0.51; (5)ACD/BCF (pH 5.5):  1.44; (6)ACD/BCF (pH 7.4):  1.44; (7)ACD/KOC (pH 5.5):  45.09; (8)ACD/KOC (pH 7.4):  45.09; (9)#H bond acceptors:  1; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  1; (12)Flash Point:  11.7 °C; (13)Enthalpy of Vaporization:  37.89 kJ/mol; (14)Boiling Point:  84.6 °C at 760 mmHg; (15)Vapour Pressure:  46 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:[K+].[O-]C(C)(C)C;
(2)Std. InChI:InChI=1S/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1;
(3)Std. InChIKey:LPNYRYFBWFDTMA-UHFFFAOYSA-N.

Safety Information of Potassium tert-butanolate:
The Potassium tert-butanolate is harmful by inhalation and if swallowed ans irritating to eyes and respiratory system. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.And it may Causes severe burns.
It is highly flammable ,so it should be keep away from sources of ignition. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) .When you use it ,wear suitable protective clothing, gloves and eye/face protection. if you feel unwell ,Take off immediately all contaminated clothing.This chemical should be keep container tightly closed and in a well-ventilated place and keep container dry.

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