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| CAS No.: | 865-47-4 |
|---|---|
| Name: | Potassium tert-butoxide |
| Article Data: | 22 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H9KO |
| Molecular Weight: | 112.213 |
| 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: |
 F, C, Xi
|
| 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 |
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| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| In tert-butyl alcohol at 40℃; Rate constant; Mechanism; secondary α-deuterium isotope effects investigated; | 100% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| In tert-butyl alcohol at 40℃; Rate constant; Mechanism; secondary α-deuterium isotope effects investigated; | 100% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 0.5h; | 100% |
- 865-47-4
potassium tert-butylate
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran for 1h; Inert atmosphere; Cooling with ice; | 100% |
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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.