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Sodium butanolate

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Name

Sodium butanolate

EINECS 219-144-2
CAS No. 2372-45-4 Density 0.874 g/cm3
PSA 23.06000 LogP 1.21700
Solubility N/A Melting Point -21 °C
Formula C4H9NaO Boiling Point 117.7 °C at 760 mmHg
Molecular Weight 96.1046 Flash Point 35 °C
Transport Information UN 2924 Appearance Colourless to pale yellow liquid
Safety 16-36/37/39-45 Risk Codes 10-22-34
Molecular Structure Molecular Structure of 2372-45-4 (Sodium butanolate) Hazard Symbols N/A
Synonyms

1-Butanol,sodium salt (9CI);Butyl alcohol, sodium salt (8CI);Sodium butoxide (6CI,7CI);Sodium 1-butoxide;Sodium butylate;Sodium n-butoxide;Sodium n-butylate;

 

Sodium butanolate Synthetic route

541-35-5

butanamide

7664-41-7

ammonia

sodium ammonium

sodium ammonium

A

2372-45-4

sodium butanolate

B

butyramide sodium

butyramide sodium

60-29-7

diethyl ether

232269-26-0

1,2-dibutoxy-1,2-dichloro-ethene

sodium

sodium

A

1066-26-8

sodium acetylide

B

2372-45-4

sodium butanolate

71-36-3

butan-1-ol

2372-45-4

sodium butanolate

Conditions
ConditionsYield
With sodium
With sodium Heating / reflux;
With sodium
5-chloro-2,4-dinitro-1-dimethylaminoformamidinoaniline

5-chloro-2,4-dinitro-1-dimethylaminoformamidinoaniline

5-hexyloxy-2,4-dinitro-1-aniline

5-hexyloxy-2,4-dinitro-1-aniline

110-63-4

Butane-1,4-diol

111-26-2

hexan-1-amine

2372-45-4

sodium butanolate

Conditions
ConditionsYield
With hydrogenchloride; sodium hydroxide; n-butyllithium; bromine; sodium In tetrahydrofuran; ice-water; hexane; dichloromethane; acetic acid; N,N-dimethyl-formamide
688-74-4

boric acid tributyl ester

7646-69-7

sodium hydride

A

16940-66-2

sodium tetrahydroborate

B

2372-45-4

sodium butanolate

Conditions
ConditionsYield
molar ratio of NaH : B(OCH3)3 = 4 : 1, at 225 - 275°C, in low-pressure autoclave;
molar ratio of NaH : B(OCH3)3 = 4 : 1, at 225 - 275°C, in low-pressure autoclave;
2372-45-4

sodium butanolate

537676-77-0

C34H18N2O4

C40H30N2O4

Conditions
ConditionsYield
In chloroform; butan-1-ol100%
2372-45-4

sodium butanolate

227617-16-5

ethyl 4-chloro-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

4-butoxy-1-(4-methoxy-benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester

Conditions
ConditionsYield
In butan-1-ol at 65℃; for 3h;100%
2372-45-4

sodium butanolate

227617-16-5

ethyl 4-chloro-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

227617-17-6

4-Butoxy-1-[(4-methoxyphenyl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Conditions
ConditionsYield
Stage #1: sodium butanolate; ethyl 4-chloro-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate In tetrahydrofuran; butan-1-ol at 20 - 65℃; for 3.83333h;
Stage #2: With water In tetrahydrofuran; butan-1-ol at 60 - 65℃; for 3h;
Stage #3: With potassium hydrogensulfate In water pH=1;
100%
2372-45-4

sodium butanolate

126-73-8

phosphoric acid tributyl ester

Conditions
ConditionsYield
With trichlorophosphate In butan-1-ol at 10 - 30℃; for 1.83333h;98%
With diethyl ether; trichlorophosphate; butan-1-ol at 0℃;
7705-08-0

iron(III) chloride

2372-45-4

sodium butanolate

7360-47-6

iron(III) n-butoxide

Conditions
ConditionsYield
In hexane; butan-1-ol byproducts: NaCl; Ar; a soln. of NaOC4H9 in butanol is added dropwise to a suspn. of FeCl3 in hexane; mixt. stirred for 30 min at 20°C, then for 30 min atthe boiling point; NaCl sepd. by centrifugation and extd. (boiling hexane); combined solns. evapd. (vac., 140°C); elem. anal.;98%

Sodium butanolate Specification

The IUPAC name of this chemical is sodium butan-1-olate. With the CAS registry number 2372-45-4, it is also named as 1-Butanol, sodium salt. It is used as pharmaceutical intermediate. Additionally, it is flammable, so people should keep it away from sources of ignition. And this chemical must be sealed in the container and avoided direct sunshine.

The other characteristics of Sodium butanolate can be summarized as: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.72; (6)ACD/BCF (pH 7.4): 2.72; (7)ACD/KOC (pH 5.5): 71.3; (8)ACD/KOC (pH 7.4): 71.3; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 35 °C; (13)Enthalpy of Vaporization: 43.29 kJ/mol; (14)Boiling Point: 117.7 °C at 760 mmHg; (15)Vapour Pressure: 8.52 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Exact Mass: 96.05511; (18)MonoIsotopic Mass: 96.05511; (19)Topological Polar Surface Area: 23.1; (20)Heavy Atom Count: 6; (21)Complexity: 17.

When you are using this chemical, please be cautious about it as the following:
 It is harmful if swallowed and can causes burns. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. 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-]CCCC
2. InChI:InChI=1/C4H9O.Na/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1
3. InChIKey:SYXYWTXQFUUWLP-UHFFFAOYAD

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