Sodium tert-butoxide supplier

Name
Sodium tert-butoxide
EINECS 212-741-9
CAS No. 865-48-5
Article Data21
CAS DataBase
Density 1,104 g/cm3
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;
PSA 23.06000
LogP 1.21540

Synthetic route

: 75-65-0
tert-butyl alcohol

: 865-48-5
sodium t-butanolate

Conditions

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%

: 872-50-4
1-methyl-pyrrolidin-2-one

: 75-65-0
tert-butyl alcohol

: 865-48-5
sodium t-butanolate

: 2,5-di-tert-butyl-7-trifluoromethyl-phenanthridinium; trifluoro-methanesulfonate

: 865-48-5
sodium t-butanolate

: 6-tert-butoxy-2,5-di-tert-butyl-7-trifluoromethyl-5,6-dihydro-phenanthridine

Conditions

Conditions	Yield
In tetrahydrofuran-d8 at -78℃;	100%

: 121314-35-0
Ce(OCMe3)(NO3)3(THF)2

: 865-48-5
sodium t-butanolate

A: 7631-99-4
sodium nitrate

B: 122423-58-9
Ce(OCMe3)4(THF)2

Conditions

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

...Expand

: 1268526-51-7
[CuCl(ClIPr)]

: 865-48-5
sodium t-butanolate

: 1268526-52-8
C31H43Cl2CuN2O

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; Inert atmosphere;	100%

: 7732-18-5
water

: 136805-54-4
pyridin-2-ylboronic acid dimethyl ester

: 865-48-5
sodium t-butanolate

: sodium trihydroxy(2-pyridyl)borate

Conditions

Conditions	Yield
at 35℃; for 0.0166667h; Sonication;	100%

...Expand

: 16774-21-3
ammonium cerium (IV) nitrate

: 865-48-5
sodium t-butanolate

A: 7631-99-4
sodium nitrate

B: 121314-35-0
Ce(OCMe3)(NO3)3(THF)2

C: 75-65-0
tert-butyl alcohol

Conditions

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

...Expand

: 660451-32-1
6-bromo-4-(4-methylphenyl)-2-(2-methylpropyl)quinoline-3-carbonitrile

: 865-48-5
sodium t-butanolate

: 1262394-32-0
6-tert-butoxy-4-(4-methylphenyl)-2-(2-methylpropyl)quinoline-3-carbonitrile

Conditions

Conditions	Yield
With palladium diacetate; 2,2'-bis(diphenylphosphino)biphenyl In tert-butyl alcohol at 70℃; for 15h; Inert atmosphere;	99%

: C35H49N3O2PPdS(1+)*C32H12BF24(1-)

: 865-48-5
sodium t-butanolate

: 3Na(1+)*3C28H41N2P*3Pd(2+)*3C7H7NO2S(2-)*3C4H10O*3C32H12BF24(1-)

Conditions

Conditions	Yield
at 23℃; for 1h; Inert atmosphere; Schlenk technique; Glovebox;	99%

: C40H51N3O2PPdS(1+)*C32H12BF24(1-)

: 865-48-5
sodium t-butanolate

: 3Na(1+)*3C28H41N2P*3Pd(2+)*3C12H9NO2S(2-)*3C4H10O*3C32H12BF24(1-)

Conditions

Conditions	Yield
at 23℃; for 1h; Inert atmosphere; Schlenk technique; Glovebox;	99%

: 3132-99-8
m-bromobenzoic aldehyde

: 4648-54-8
trimethylsilylazide

: 865-48-5
sodium t-butanolate

: [(tert-butoxy)(3-bromophenyl)methoxy]trimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 4648-54-8
trimethylsilylazide

: 6630-33-7
ortho-bromobenzaldehyde

: 865-48-5
sodium t-butanolate

: [(tert-butoxy)(2-bromophenyl)methoxy]trimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 4648-54-8
trimethylsilylazide

: 105-07-7
4-cyanobenzaldehyde

: 865-48-5
sodium t-butanolate

: 4-[(tert-butoxy)[(trimethylsilyl)oxy]methyl]benzonitrile

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 4648-54-8
trimethylsilylazide

: 100-52-7
benzaldehyde

: 865-48-5
sodium t-butanolate

: [(tert-butoxy)(phenyl)methoxy]trimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 4648-54-8
trimethylsilylazide

: 591-31-1
3-methoxy-benzaldehyde

: 865-48-5
sodium t-butanolate

: [(tert-butoxy)(3-methoxyphenyl)methoxy]trimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 4648-54-8
trimethylsilylazide

: 66-99-9
β-naphthaldehyde

: 865-48-5
sodium t-butanolate

: [(tert-butoxy)(naphthalen-2-yl)methoxy]trimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 14371-10-9
(E)-3-phenylpropenal

: 4648-54-8
trimethylsilylazide

: 865-48-5
sodium t-butanolate

: (E)-((1-(tert-butoxy)-3-phenylallyl)oxy)trimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 4648-54-8
trimethylsilylazide

: 15174-47-7
α-methyl-trans-cinnamaldehyde

: 865-48-5
sodium t-butanolate

: (E)-((1-(tert-butoxy)-2-methyl-3-phenylallyl)oxy)trimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 4648-54-8
trimethylsilylazide

: 865-48-5
sodium t-butanolate

: 2043-61-0
cyclohexanecarbaldehyde

: [(tert-butoxy)(cyclohexyl)methoxy]trimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 56522-24-8
tert-butyldimethylsilyl cyanide

: 104-88-1
4-chlorobenzaldehyde

: 865-48-5
sodium t-butanolate

: [(tert-butoxy)(4-chlorophenyl)methoxy](tert-butyl)dimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 4648-54-8
trimethylsilylazide

: 104-88-1
4-chlorobenzaldehyde

: 865-48-5
sodium t-butanolate

: [(tert-butoxy)(4-chlorophenyl)methoxy]trimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 4648-54-8
trimethylsilylazide

: 587-04-2
3-Chlorobenzaldehyde

: 865-48-5
sodium t-butanolate

: [(tert-butoxy)(3-chlorophenyl)methoxy]trimethylsilane

Conditions

Conditions	Yield
In tetrahydrofuran; benzene at 20℃; for 1h;	99%

...Expand

: 90-90-4
(4-bromophenyl)(phenyl)methanone

: 865-48-5
sodium t-butanolate

: 4-tert-butoxybenzophenone

Conditions

Conditions	Yield
With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 6h;	98%
With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 6h;	98%
With palladium diacetate; tri-tert-butyl phosphine In xylene at 120℃; for 1h; Substitution; Suzuki coupling;	94%
With bis(1,5-cyclooctadiene)nickel (0); 1,2-bis-(diphenylphosphino)ethane In toluene at 95℃; for 18h;	93%
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(1,5-cyclooctadiene)nickel (0) In toluene at 95℃; for 18h; Product distribution; other reagent;	67%

: 623-00-7
4-bromobenzenecarbonitrile

: 865-48-5
sodium t-butanolate

: 185259-36-3
tert-butyl 4-cyanophenyl ether

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 120℃; for 12h; Product distribution; other reagents;	98%
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(1,5-cyclooctadiene)nickel (0) In toluene at 100℃; for 17h;	59%

: 134-85-0
4-chlorobenzophenone

: 865-48-5
sodium t-butanolate

: 4-tert-butoxybenzophenone

Conditions

Conditions	Yield
With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 4h;	98%
With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 4h;	98%
With palladium diacetate; tri-tert-butyl phosphine In xylene at 120℃; for 3h; Substitution; Suzuki coupling;	92%
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 95℃; for 12h; Product distribution; other reagents, temperature, reaction time;	84%
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(1,5-cyclooctadiene)nickel (0) In toluene at 95℃; for 10h;	69%

: 586-78-7
para-nitrophenyl bromide

: 865-48-5
sodium t-butanolate

: 2109-72-0
4-tert-butoxy-1-nitrobenzene

Conditions

Conditions	Yield
With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 9h;	98%
With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 9h;	98%
tris(dibenzylideneacetone)dipalladium (0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 100℃; for 12h; Etherification;	95%

: 108-86-1
bromobenzene

: 865-48-5
sodium t-butanolate

: 6669-13-2
t-butyl phenyl ether

Conditions

Conditions	Yield
With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 23h;	97%
With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium(0) In toluene at 20℃; for 17h;	96%
With palladium diacetate; tri-tert-butyl phosphine In xylene at 120℃; for 2h; Substitution; Suzuki coupling;	89%

: 5765-65-1
4-(benzoyloxy)morpholine

: 865-48-5
sodium t-butanolate

: 774-65-2
benzoic acid tert-butyl ester

Conditions

Conditions	Yield
In 1,4-dioxane-d8 at 25℃; for 2h; Inert atmosphere;	97%

Sodium tert-butoxide Specification

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.

Product Name

Sodium tert-butoxide

Synthetic route

Sodium tert-butoxide Specification

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