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Sodium tert-pentoxide

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Name

Sodium tert-pentoxide

EINECS 238-639-4
CAS No. 14593-46-5 Density 0.904 g/mL at 25 °C
PSA 23.06000 LogP 1.60550
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 Molecular Structure of 14593-46-5 (Sodium tert-pentoxide) Hazard Symbols FlammableF,CorrosiveC
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;

Article Data 8

Sodium tert-pentoxide Synthetic route

75-85-4

tert-Amyl alcohol

14593-46-5

sodium tert-pentoxide

Conditions
ConditionsYield
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
ConditionsYield
With sodium In tert-butyl alcohol

C36H49AgN2O3S

14593-46-5

sodium tert-pentoxide

C34H53AgN2O

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

C35H47AgN2O3S

14593-46-5

sodium tert-pentoxide

C33H51AgN2O

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

C21H26AuClN2

14593-46-5

sodium tert-pentoxide

C26H37AuN2O

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With carbon dioxide In 5,5-dimethyl-1,3-cyclohexadiene; di-isopropyl ether; paraffin oil82.2%
93-58-3

benzoic acid methyl ester

14593-46-5

sodium tert-pentoxide

3580-38-9

2-Benzoylcyclohexanone

Conditions
ConditionsYield
With Isopropylbenzene; sulfuric acid In water; cyclohexanone; sodium hydrogencarbonate76%

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
ConditionsYield
In water74.1%
112-61-8

Methyl stearate

14593-46-5

sodium tert-pentoxide

98-86-2

acetophenone

58446-52-9

stearoylbenzoylmethane

Conditions
ConditionsYield
With sulfuric acid In water; sodium hydrogencarbonate74%

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

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