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865-47-4

Basic Information
CAS No.: 865-47-4
Name: Potassium tert-butoxide
Molecular Structure:
Molecular Structure of 865-47-4 (Potassium tert-butoxide)
Formula: C4H9KO
Molecular Weight: 112.22
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;
EINECS: 212-740-3
Density: 0.910g/mLat 20°C
Melting Point: 256-258 °C (dec.)(lit.)
Boiling Point: 84.6 °C at 760 mmHg
Flash Point: 11.7 °C
Solubility: reacts with water
Appearance: white crystalline powder
Hazard Symbols: FlammableF,CorrosiveC,IrritantXi
Risk Codes: 11-19-22-34-35-14-20-36/37
Safety: 16-26-36/37/39-43-45-7/9-8-43-33-27-29
Transport Information: UN 3274 3/PG 2
PSA: 23.06000
LogP: 1.21540
Synthetic route
75-65-0

tert-butyl alcohol

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;
17376-04-4

2-phenethyl iodide

865-47-4

potassium tert-butylate

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

1-fluoro-2-phenylethane

865-47-4

potassium tert-butylate

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%
865-47-4

potassium tert-butylate

622-24-2

2-phenylethyl chloride

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%
865-47-4

potassium tert-butylate

103-63-9

1-phenyl-2-bromoethane

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

potassium tert-butylate

586-75-4

4-chlorobenzoyl chloride

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%
865-47-4

potassium tert-butylate

2117-39-7

benzylmercury(II) chloride

762-04-9

phosphonic acid diethyl ester

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%

C14H25B9N2

865-47-4

potassium tert-butylate

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

865-47-4

potassium tert-butylate

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%
4858-85-9

2,3-dichloropyrazine

865-47-4

potassium tert-butylate

2-(tert-butoxy)-3-chloropyrazine

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

C12H7ClINO

865-47-4

potassium tert-butylate

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

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

potassium tert-butylate

99548-02-4

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

C17H51Si9(1-)*K(1+)

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

potassium tert-butylate

C35H45FeN4O2(1+)*I(1-)

C39H54FeN4O3

Conditions
ConditionsYield
In benzene-d6 for 0.333333h; Inert atmosphere;100%
Raw Materials
75-65-0
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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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