Sodium tert-pentoxide supplier

Name
Sodium tert-pentoxide
EINECS 238-639-4
CAS No. 14593-46-5
Article Data8
CAS DataBase
Density 0.904 g/mL at 25 °C
Solubility Reacts with water.
Melting Point 200 °C
Formula C₅H₁₁NaO
Boiling Point 113.1 °C at 760 mmHg
Molecular Weight 110.132
Flash Point 36.7 °C
Transport Information UN 3206 4.2/PG 2
Appearance Cream or light tan powder
Safety 6-22-33-36/37/39-7/8-45-43C-26-16
Risk Codes 11-14/15-35-14
Molecular Structure
Hazard Symbols F,C
Synonyms Sodiumtert-amylate.;tert-Amyl alcoholsodium salt;2-Butanol,2-methyl-, sodium salt (9CI);Sodium, tert-pentyloxide (6CI,7CI);tert-Pentylalcohol, sodium salt (8CI);Sodium 1,1-dimethylpropoxide;Sodium 2-methyl-2-butoxide;
PSA 23.06000
LogP 1.60550

Synthetic route

: 75-85-4
tert-Amyl alcohol

: 14593-46-5
sodium tert-pentoxide

Conditions

Conditions	Yield
With sodium In n-heptane Inert atmosphere; Schlenk technique; Reflux;	68.6%
With sodium In toluene for 24h; Heating;
With sodium In tetrahydrofuran; n-heptane

: 75-85-4
tert-Amyl alcohol

FeCl3*6H2O: FeCl3*6H2O

: 14593-46-5
sodium tert-pentoxide

Conditions

Conditions	Yield
With sodium In tert-butyl alcohol

: C36H49AgN2O3S

: 14593-46-5
sodium tert-pentoxide

: C34H53AgN2O

Conditions

Conditions	Yield
In tetrahydrofuran; benzene for 1h; Inert atmosphere;	96%

: C35H47AgN2O3S

: 14593-46-5
sodium tert-pentoxide

: C33H51AgN2O

Conditions

Conditions	Yield
In tetrahydrofuran; benzene for 1h; Inert atmosphere;	96%

: C21H26AuClN2

: 14593-46-5
sodium tert-pentoxide

: C26H37AuN2O

Conditions

Conditions	Yield
In toluene for 4h; Schlenk technique; Inert atmosphere;	90%

: 75-11-6
diiodomethane

: 14593-46-5
sodium tert-pentoxide

: 54699-28-4
di-tert-pentyloxymethane

Conditions

Conditions	Yield
at 100 - 120℃;	85%

: 1696-20-4
4-acetylmorpholine

: 75-85-4
tert-Amyl alcohol

: 14593-46-5
sodium tert-pentoxide

: 116412-83-0
4-chloro-3',4'-dimethoxy benzophenone

: dimethomorph

Conditions

Conditions	Yield
With carbon dioxide In 5,5-dimethyl-1,3-cyclohexadiene; di-isopropyl ether; paraffin oil	82.2%

...Expand

: 93-58-3
benzoic acid methyl ester

: 14593-46-5
sodium tert-pentoxide

: 3580-38-9
2-Benzoylcyclohexanone

Conditions

Conditions	Yield
With Isopropylbenzene; sulfuric acid In water; cyclohexanone; sodium hydrogencarbonate	76%

: methyl 2-[1-amino-1-(4-fluorophenyl)methylene]-4-methyl-3-oxopentanoate

: 14593-46-5
sodium tert-pentoxide

: 506-77-4
cyanogen chloride

: 289042-11-1
methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methanesulphonyl-N-methylamino)pyrimidine-5-carboxylate

Conditions

Conditions	Yield
In water	74.1%

...Expand

: 112-61-8
Methyl stearate

: 14593-46-5
sodium tert-pentoxide

: 98-86-2
acetophenone

: 58446-52-9
stearoylbenzoylmethane

Conditions

Conditions	Yield
With sulfuric acid In water; sodium hydrogencarbonate	74%

...Expand

: t-butyltris(N-methylacetamido)tin(IV)

: 14593-46-5
sodium tert-pentoxide

: C19H42O3Sn

Conditions

Conditions	Yield
In pentane for 16h; Inert atmosphere; Glovebox;	66%

: 933784-97-5
5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine

[1,1'-bis(diphenylphosphino)ferrocene]-dichloropalladium: [1,1'-bis(diphenylphosphino)ferrocene]-dichloropalladium

1,1'-bis(diphenylphosphino)ferrocene)-dichloropalladium: 1,1'-bis(diphenylphosphino)ferrocene)-dichloropalladium

: 14593-46-5
sodium tert-pentoxide

: 161265-03-8
4,5-bis(diphenylphosphino)-9,9-dimethylxanthene

: 1252575-64-6
N-(2,5-difluoro-4-(morpholinomethyl)phenyl)-5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine

Conditions

Conditions	Yield
In dichloromethane; water; toluene	64%

...Expand

: 14593-46-5
sodium tert-pentoxide

: 616-38-6
carbonic acid dimethyl ester

: 190969-66-5
(S)-3-(1,3-benzodioxol-5-yl)-2,3-dihydro-6-propoxy-1H-indan-1-one

: (1S-trans)-methyl 1-(1,3-benzodioxol-5-yl)-2,3-dihydro-3-oxo-5-propoxy-1H-indene-2-carboxylate

Conditions

Conditions	Yield
With sodium hydrogencarbonate; acetic acid In methanol; water; toluene	62%

...Expand

: 933784-97-5
5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine

: 897016-96-5
4-(4-bromo-3-fluorobenzyl)morpholine

[1,1'-bis(diphenylphosphino)ferrocene]-dichloropalladium: [1,1'-bis(diphenylphosphino)ferrocene]-dichloropalladium

1,1'-bis(diphenylphosphino)ferrocene)-dichloropalladium: 1,1'-bis(diphenylphosphino)ferrocene)-dichloropalladium

: 14593-46-5
sodium tert-pentoxide

: 161265-03-8
4,5-bis(diphenylphosphino)-9,9-dimethylxanthene

: 1252575-59-9
5-fluoro-N-(2-fluoro-4-(morpholinomethyl)phenyl)-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine

Conditions

Conditions	Yield
In dichloromethane; water; toluene	61%

...Expand

: 201230-82-2
carbon monoxide

: 1556-08-7
cyclooctyl chloride

: 14593-46-5
sodium tert-pentoxide

A: 6688-11-5
cyclooctylcarboxaldehyde

B: 4103-15-5
cyclooctanecarboxylic acid

C: Cyclooctanecarboxylic acid 1,1-dimethyl-propyl ester

Conditions

Conditions	Yield
With iron(III) chloride; sodium hydride In 1,2-dimethoxyethane at 65℃; for 14h; Product distribution; C8H15Cl/FeCl3=10, C85H15Cl/NaH/Am-t-ONa/FeCl3=10/40/20/1 mmol;	A 21% B 48% C 31%

...Expand

: 185312-82-7
4-bromo-2-chlorobenzoic acid methyl ester

: 109-01-3
1-methyl-piperazine

: 14593-46-5
sodium tert-pentoxide

A: 1059705-62-2
2-chloro-4-(4-methylpiperazin-1-yl)benzoic acid methyl ester

B: 1059705-74-6
tert-pentyl 2-chloro-4-(4-methylpiperazin-1-yl)benzoate

C: methyl 4-(4-methylpiperazin-1-yl)-2-(tert-pentyloxy)benzoate

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 100℃; for 4h;	A 38% B n/a C n/a

...Expand

: 109-01-3
1-methyl-piperazine

: 14593-46-5
sodium tert-pentoxide

: 251085-87-7
methyl 5-bromo-2-chloro-benzoate

A: 1059705-49-5
C13H17ClN2O2

B: C17H25ClN2O2

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 100℃; for 4h;	A 38% B n/a

...Expand

: 1059705-62-2
2-chloro-4-(4-methylpiperazin-1-yl)benzoic acid methyl ester

: 14593-46-5
sodium tert-pentoxide

: 100-46-9
benzylamine

A: 2-Benzylamino-4-(4-methyl-piperazin-1-yl)-benzoic acid methyl ester

B: 1059705-63-3
tert-pentyl 2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzoate

Conditions

Conditions	Yield
With 2-P(t-Bu)2-biphenyl; tris(dibenzylideneacetone)dipalladium (0) In toluene at 110℃; for 20h;	A 38% B 9%

...Expand

: 109-01-3
1-methyl-piperazine

: 89465-97-4
4-bromo-2-chloro-1-nitrobenzene

: 14593-46-5
sodium tert-pentoxide

A: 1059705-52-0
1-(3-chloro-4-nitrophenyl)-4-methylpiperazine

B: C11H14ClNO3

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran at 100℃; for 4h;	A 37% B n/a

...Expand

: 1059705-62-2
2-chloro-4-(4-methylpiperazin-1-yl)benzoic acid methyl ester

: 14593-46-5
sodium tert-pentoxide

: 64-04-0
phenethylamine

A: 897027-10-0
4-(4-Methyl-piperazin-1-yl)-2-phenethylamino-benzoic acid methyl ester

B: C25H35N3O2

Conditions

Conditions	Yield
With 2-P(t-Bu)2-biphenyl; tris(dibenzylideneacetone)dipalladium (0) In toluene at 110℃; for 20h;	A 30% B n/a

...Expand

: 1059705-62-2
2-chloro-4-(4-methylpiperazin-1-yl)benzoic acid methyl ester

: 617-89-0
furan-2-ylmethanamine

: 14593-46-5
sodium tert-pentoxide

A: 897027-11-1
[1092]2-[(Furan-2-ylmethyl)-amino]-4-(4-methyl-piperazin-1-yl)-benzoic acid methyl ester

B: 1059705-64-4
tert-pentyl 2-((furan-2-ylmethyl)amino)-4-(4-methylpiperazin-1-yl)benzoate

Conditions

Conditions	Yield
With 2-P(t-Bu)2-biphenyl; tris(dibenzylideneacetone)dipalladium (0) In toluene at 110℃; for 20h;	A 21% B 4%

...Expand

: 1059705-49-5
C13H17ClN2O2

: 14593-46-5
sodium tert-pentoxide

: 100-46-9
benzylamine

A: C20H25N3O2

B: C24H33N3O2

Conditions

Conditions	Yield
With 2-P(t-Bu)2-biphenyl; tris(dibenzylideneacetone)dipalladium (0) In toluene at 110℃; for 20h;	A 16% B n/a

...Expand

: {(C(OCH3)C(CH3)CH2)}pentacarbonyltungsten

: 14593-46-5
sodium tert-pentoxide

A: {(tris(CH3CH2C(CH3)2OCH2C(CH3)CH2C(CH3)CH(OCH3))C(CH3O))}pentacarbonyltungsten

B: {(μ-(CH3CH2C(CH3)2O(CH2C(CH3))4(CH(CH3O))(C(CH3O))3))}(pentacarbonyltungsten)3

C: {(μ-(CH3CH2C(CH3)2OCH2C(CH3)CH2CH(CH3))(C(CH3O))2)}(pentacarbonyl)2ditungsten

D: {(tris(CH3CH2C(CH3)2OCH2CH(CH3))C(CH3O))}pentacarbonyltungsten

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; diethyl ether To a cooled (-78°C) suspension of C2H5(CH3)2CONa is added a precooled soln. (same temp.) of (CO)5W(C(OCH3)C(CH3)CH2) over 10 min, stirring (5 h, -78°C.), quencheing with precooled (same temp.) HCl/diethylether in THF, warming to room temp.; Solvent is removed under aspirator vac., residue is chromd. on silica gel, column is washed with hexane, CH2Cl2/hexane and ethyl acetate/hexane, evapn., distn. and recrystn. respectively, elem. anal.;	A <1 B 15% C <1 D 1%

Yield

With hydrogenchloride In tetrahydrofuran; diethyl ether To a cooled (-78°C) suspension of C2H5(CH3)2CONa is added a precooled soln. (same temp.) of (CO)5W(C(OCH3)C(CH3)CH2) over 10 min, stirring (5 h, -78°C.), quencheing with precooled (same temp.) HCl/diethylether in THF, warming to room temp.; Solvent is removed under aspirator vac., residue is chromd. on silica gel, column is washed with hexane, CH2Cl2/hexane and ethyl acetate/hexane, evapn., distn. and recrystn. respectively, elem. anal.;

A <1
B 15%
C <1
D 1%

...Expand

: 188290-36-0
thiophene

: 1822-71-5
n-pentylsodium

: 14593-46-5
sodium tert-pentoxide

: 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate

: 4282-31-9
Thiophene-2,5-dicarboxylic acid

Conditions

Conditions	Yield
aufeinanderfolgender Umsetzung;

...Expand

: 14593-46-5
sodium tert-pentoxide

: 870-63-3
prenyl bromide

: 103754-95-6
(3-methyl-but-2-enyl)-tert-pentyl ether

: 2736-40-5
chlorure d'acide ethyl-2 butyrique

: 14593-46-5
sodium tert-pentoxide

: 100534-04-1
tert-pentyl-2-ethylbutanoate

Conditions

Conditions	Yield
With diethyl ether

: 1165952-92-0
cyclohexa-1,4-diene

: 14593-46-5
sodium tert-pentoxide

: 1165952-91-9
cyclohexa-1,3-diene

Conditions

Conditions	Yield
at 150℃;

: 1517-69-7
(R)-1-phenylethanol

: 14593-46-5
sodium tert-pentoxide

: 52224-89-2
(+)-(R)-methoxyphenylethane

Conditions

Conditions	Yield
With toluene; methyl iodide at 30 - 35℃;

: 100607-73-6
5-chloro-5-phenyl-valeric acid ethyl ester

: 14593-46-5
sodium tert-pentoxide

: 22768-07-6, 121746-04-1, 93845-04-6
(E)-ethyl 5-phenylpent-4-enoate

Conditions

Conditions	Yield
With benzene zuletzt unter Erwaermen;

: 109501-02-2
7a,8,8a,9-tetrahydro-cyclopropa[b]phenanthren-7-one

: 14593-46-5
sodium tert-pentoxide

: 109500-98-3
8,9-dihydro-cyclohepta[a]naphthalen-7-one

Conditions

Conditions	Yield
With benzene

: 100-39-0
benzyl bromide

: 14593-46-5
sodium tert-pentoxide

: 120-92-3
cyclopentanone

: 57772-75-5
2,2-dibenzylcyclopentanone

Conditions

Conditions	Yield
With diethyl ether; benzene anschliessendes Erhitzen auf Siedetemperatur;

...Expand

Sodium tert-pentoxide Specification

The IUPAC name of Sodium tert-pentoxide is sodium 2,2-dimethylpropan-1-olate. With the CAS registry number 14593-46-5, it is also named as 2-Butanol, 2-methyl-, sodium salt. The product categories are chemical synthesis; organic bases; synthetic reagents; organic basesmicro / nanoelectronics; solution deposition precursors. It is cream or light tan powder which is sensitive to air, moisture and acid. In addition, Sodium tert-pentoxide is used as pharmaceutical raw materials for organic synthesis. This chemical must be sealed in the container at the normal temperature and avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.64; (6)ACD/BCF (pH 7.4): 3.64; (7)ACD/KOC (pH 7.4): 87.73; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Enthalpy of Vaporization: 40.98 kJ/mol; (12)Vapour Pressure: 10.8 mmHg at 25°C; (13)Rotatable Bond Count: 1; (14)Exact Mass: 110.07076; (15)MonoIsotopic Mass: 110.07076; (16)Topological Polar Surface Area: 23.1; (17)Heavy Atom Count: 7.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so it should kept away from sources of ignition. And it reacts violently with water to liberate extremely flammable gases. Additionally, Sodium tert-pentoxide can cause severe burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of fire use ... (there follows the type of fire-fighting equipment to be used.) In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].[O-]CC(C)(C)C
2. InChI:InChI=1/C5H11O.Na/c1-5(2,3)4-6;/h4H2,1-3H3;/q-1;+1
3. InChIKey:YQMLGVNRTAQUFQ-UHFFFAOYAN

Product Name

Sodium tert-pentoxide

Synthetic route

Sodium tert-pentoxide Specification

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