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Name |
Sodium tert-butoxide |
EINECS | 212-741-9 |
CAS No. | 865-48-5 | Density | 1,104 g/cm3 |
PSA | 23.06000 | LogP | 1.21540 |
Solubility | reacts with water | Melting Point |
180 °C |
Formula | C4H9NaO | Boiling Point | 84.6 °C at 760 mmHg |
Molecular Weight | 96.1046 | Flash Point | 11.7 °C |
Transport Information | UN 3206 4.2/PG 2 | Appearance | white to light tan crystalline powder |
Safety | 26-36/37/39-43-45-7/8-8-16-36 | Risk Codes | 11-14-34-37-35-36/37/38 |
Molecular Structure | Hazard Symbols | F, C, Xi | |
Synonyms |
2-Propanol,2-methyl-, sodium salt (9CI);Sodium tert-butoxide (6CI);tert-Butyl alcohol,sodium salt (8CI);2-Methyl-2-propanol sodium salt;Sodium tert-butanolate;Sodium tert-butylate;tert-Butanol sodium salt;tert-Butoxysodium;Sodium tert-butoxide; |
Article Data | 21 |
Conditions | Yield |
---|---|
With sodium amide In water; toluene at 105℃; for 2h; Temperature; Solvent; | 99% |
With sodium; sodium hydride In 5,5-dimethyl-1,3-cyclohexadiene at 97 - 132℃; for 12.7h; Temperature; Inert atmosphere; | 99.8% |
With sodium amide at 85℃; for 10h; | 76.3% |
sodium t-butanolate
Conditions | Yield |
---|---|
In tetrahydrofuran-d8 at -78℃; | 100% |
Ce(OCMe3)(NO3)3(THF)2
sodium t-butanolate
A
sodium nitrate
B
Ce(OCMe3)4(THF)2
Conditions | Yield |
---|---|
In tetrahydrofuran exclusion of air and water, stirred for 20 h, 3 equiv. of NaOCMe3; centrifuged, removal of solvent; | A 100% B 80-95 |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
at 35℃; for 0.0166667h; Sonication; | 100% |
ammonium cerium (IV) nitrate
sodium t-butanolate
A
sodium nitrate
B
Ce(OCMe3)(NO3)3(THF)2
C
tert-butyl alcohol
Conditions | Yield |
---|---|
In tetrahydrofuran byproducts: NH3; exclusion of air and water, stirred for 2 h; filtered (NaNO3), removal of solvent from filtrate, extn. (toluene), removal of solvent; elem. anal.; | A 99% B 56% C n/a |
6-bromo-4-(4-methylphenyl)-2-(2-methylpropyl)quinoline-3-carbonitrile
sodium t-butanolate
6-tert-butoxy-4-(4-methylphenyl)-2-(2-methylpropyl)quinoline-3-carbonitrile
Conditions | Yield |
---|---|
With palladium diacetate; 2,2'-bis(diphenylphosphino)biphenyl In tert-butyl alcohol at 70℃; for 15h; Inert atmosphere; | 99% |
sodium t-butanolate
Conditions | Yield |
---|---|
at 23℃; for 1h; Inert atmosphere; Schlenk technique; Glovebox; | 99% |
sodium t-butanolate
Conditions | Yield |
---|---|
at 23℃; for 1h; Inert atmosphere; Schlenk technique; Glovebox; | 99% |
The Sodium tert-butoxide, with the CAS registry number 865-48-5,is also known as Sodium 2-methylpropan-2-olate; NatB. It belongs to the product categories of Organic BasesMicro/Nanoelectronics;Solution Deposition Precursors;metal alkoxide.Its EINECS number is 212-741-9. This chemical's molecular formula is C4H9NaO and molecular weight is 96.10. What's more,Its systematic name is Sodium 2-methylpropan-2-olate.It is a white to light tan crystalline powder which is used as a strong base widely used in the reactions of condensation, rearrangement and ring-opening in chemical industry, medicine, pesticide and other organic synthesis.
Physical properties about Sodium tert-butoxide 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:[Na+].[O-]C(C)(C)C;
(2)Std. InChI:InChI=1S/C4H9O.Na/c1-4(2,3)5;/h1-3H3;/q-1;+1;
(3)Std. InChIKey:MFRIHAYPQRLWNB-UHFFFAOYSA-N.