Sodium butanolate supplier | CasNO.2372-45-4

Name
Sodium butanolate
EINECS 219-144-2
CAS No. 2372-45-4
Density 0.874 g/cm³
Solubility
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
Hazard Symbols
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;
PSA 23.06000
LogP 1.21700

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

...Expand

: 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

...Expand

: 71-36-3
butan-1-ol

: 2372-45-4
sodium butanolate

Conditions

Conditions	Yield
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

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

...Expand

: 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

Conditions	Yield
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;

...Expand

: 2372-45-4
sodium butanolate

: 537676-77-0
C34H18N2O4

: C40H30N2O4

Conditions

Conditions	Yield
In chloroform; butan-1-ol	100%

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

: 644-97-3
Dichlorophenylphosphine

: 2372-45-4
sodium butanolate

: 3030-90-8
dibutyl phenylphosphonite

Conditions

Conditions	Yield
In 1,4-dioxane at 10 - 50℃; for 5h; Temperature; Solvent; Concentration; Inert atmosphere;	97.4%

: 2372-45-4
sodium butanolate

: cis-3-bromo-2-ethoxy-3,4-dihydro-2H-pyran-6-carbonitrile

: butyl 5-ethoxypenta-2,4-dienoate

Conditions

Conditions	Yield
In butan-1-ol for 0.5h; Ambient temperature;	97%

: 12082-05-2
(η6-fluorobenzene)tricarbonylchromium

: 2372-45-4
sodium butanolate

: 43202-61-5, 15694-15-2
tricarbonyl(η(6)-butoxybenzene)chromium

Conditions

Conditions	Yield
In dimethyl sulfoxide	96.84%
In dimethyl sulfoxide	96.84%

: 588-96-5
4-bromoethoxybenzene

: 2372-45-4
sodium butanolate

: 1-butoxy-4-ethoxybenzene

Conditions

Conditions	Yield
With n-butyl formate; lithium chloride; copper(I) bromide In butan-1-ol at 110℃; for 7h; Sealed tube;	96%

: 15191-36-3
2-bromo-4,6-dimethylphenol

: 2372-45-4
sodium butanolate

: 2-butoxy-4,6-dimethylphenol

Conditions

Conditions	Yield
With n-butyl formate; lithium chloride; copper(I) bromide In butan-1-ol at 110℃; for 7h; Sealed tube;	95%

: 2-chloro-5-((2-(trimethylsilyl)ethoxyl)methyl)-5H-pyrrolo[3,2-d]pyrimidine-4-amine

: 2372-45-4
sodium butanolate

: 2-butoxy-5-((2-(trimethylsilyl)ethoxyl)methyl)-5H-pyrrolo[3,2-d]pyrimidine-4-amine

Conditions

Conditions	Yield
In butan-1-ol at 80℃; for 5h;	95%
In butan-1-ol at 100℃; for 8h; Inert atmosphere;	91%
In butan-1-ol at 100℃; for 8h; Inert atmosphere;	91%

: (C5(CH3)5)2SmCl(C4H8O)

: 2372-45-4
sodium butanolate

: 130013-55-7
(C5(CH3)5)2Sm(OCH2CH2CH2CH3)(C4H8O)

Conditions

Conditions	Yield
In tetrahydrofuran; hexane byproducts: NaCl; mixture of Sm-compd and CH3CH2CH2CH2ONa is dissolved in 5:1 hexane-THF mixture, stirred for 16h; removal of solvent, extraction of solid with hexane, removal of solvent from the extract, NMR;	94%

: O-methyl furan-3-carbothioate

: 2372-45-4
sodium butanolate

: 71-36-3
butan-1-ol

: O-butyl furan-3-carbothioate

Conditions

Conditions	Yield
at 75℃; for 0.25h;	94%

...Expand

: 1714-29-0
1-bromopyrene

: 2372-45-4
sodium butanolate

: 94548-20-6
1-butoxypyrene

Conditions

Conditions	Yield
In butan-1-ol for 18.5h; Inert atmosphere; Reflux; Large scale;	93.2%

: 3206-44-8
5-methanesulfonyl-1-phenyl-1H-tetrazole

: 2372-45-4
sodium butanolate

: 5-butoxy-1-phenyltetrazole

Conditions

Conditions	Yield
	93%

: 27060-75-9
4-bromo-3-methylanisole

: 2372-45-4
sodium butanolate

: 1-n-butoxy-4-methoxy-2-methylbenzene

Conditions

Conditions	Yield
With n-butyl formate; lithium chloride; copper(I) bromide In butan-1-ol at 110℃; for 7h; Sealed tube;	92%

: 2372-45-4
sodium butanolate

: 99455-15-9
7-bromo-2-chloro-quinoline

: 1223559-69-0
7-bromo-2-butoxyquinoline

Conditions

Conditions	Yield
With butan-1-ol for 15h; Reflux;	91%

: 1334479-79-6
5-(benzenesulfonyl)-2-bromothieno[2,3-c]pyridine

: 2372-45-4
sodium butanolate

: 1334479-81-0
2-bromo-5-n-butoxythieno[2,3-c]pyridine

Conditions

Conditions	Yield
With acetic acid In tetrahydrofuran	91%
With butan-1-ol In tetrahydrofuran Inert atmosphere; Reflux;	75%

: 1-bromo-4-(3-morpholin-4-yl-propoxy)benzene

: 2372-45-4
sodium butanolate

: 140-65-8
pramoxine

Conditions

Conditions	Yield
With n-butyl formate; lithium chloride; copper(I) bromide In butan-1-ol at 110℃; for 7h; Autoclave;	91%

: 76190-23-3
O-methyl furan-2-carbothiono ester

: 2372-45-4
sodium butanolate

: 71-36-3
butan-1-ol

: O-butyl furan-2-carbothioate

Conditions

Conditions	Yield
at 75℃; for 0.25h;	90%

...Expand

: 82840-40-2
3,5-dibromo-6-oxo-6H-anthra<1,9-cd>isoxazole

: 2372-45-4
sodium butanolate

A: 81-49-2
1-amino-2, 4-dibromoanthraquinone

B: 127727-73-5
3-Bromo-5-butoxy-anthra[1,9-cd]isoxazol-6-one

Conditions

Conditions	Yield
In 1,4-dioxane Ambient temperature;	A n/a B 89.8%

...Expand

: 127918-68-7
O-methyl thiophene-3-carbothioate

: 2372-45-4
sodium butanolate

: 71-36-3
butan-1-ol

: O-butyl thiophene-3-carbothioate

Conditions

Conditions	Yield
at 75℃; for 0.25h;	89%

...Expand

: 106661-79-4
2-amino-4-chloro-6-<3-<3-(1-piperidinylmethyl)phenoxy>propylamino>-1,3,5-triazine

: 2372-45-4
sodium butanolate

: 6-Butoxy-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-[1,3,5]triazine-2,4-diamine

Conditions

Conditions	Yield
In butan-1-ol at 70℃;	88%

: methyl 4,6-bis(3,5-dimethylphenylamino)-1,3,5-triazine-2-carboxylate

: 2372-45-4
sodium butanolate

: 4,6-bis-(3,5-dimethyl-phenylamino)-[1,3,5]triazine-2-carboxylic acid butyl ester

Conditions

Conditions	Yield
In butan-1-ol Heating;	88%

: 1-ferrocenyl-1,3-butanedione

: 544-16-1
n-Butyl nitrite

: 2372-45-4
sodium butanolate

A: (C5H5)Fe(C5H4C(O)OCH2CH2CH2CH3)

B: [2-(hydroxyimino)-3-oxobutyryl]ferrocene

Conditions

Conditions	Yield
In butan-1-ol to soln. of NaOC4H9 added (3-oxobutyryl)ferrocene; butyl nitrite added at 10°C; stirred for 10 h at 20°C; filtered, evapd.; sepd. chromatographically (aluminum oxide); (C5H5)Fe(C5H4COOC4H9) eluted (hexane); (C5H5)Fe(C5H4COC(COCH3)NOH) eluted (ethyl acetate);	A 88% B 7%

...Expand

: 7-bromo-2-chloro-N,N-bis(4-methoxybenzyl)imidazo[2,1-f][1,2,4]triazin-4-amine

: 2372-45-4
sodium butanolate

: 7-bromo-2-butoxy-N,N-bis(4-methoxybenzyl)imidazo[2,1-f][1,2,4]triazin-4-amine

Conditions

Conditions	Yield
In butan-1-ol at 80℃; for 1h; Inert atmosphere;	88%

: 2372-45-4
sodium butanolate

: 370866-02-7
5-bromo-4-chloro-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridine

: 370866-03-8
5-Bromo-4-butoxy-1-[(4-methoxyphenyl)methyl]-1H-pyrazolo [3,4-b]pyridine

Conditions

Conditions	Yield
In butan-1-ol at 60℃; for 2h;	86%

: 57543-66-5
2H-chromene-3-carbonitrile

: 62-53-3
aniline

: 2372-45-4
sodium butanolate

: 1195865-00-9
(Z)-3-butoxymethyl-2-phenylimino-2H-chromene

Conditions

Conditions	Yield
In tetrahydrofuran for 1h; Inert atmosphere; Reflux; stereospecific reaction;	86%

...Expand

: 6-chloro-N,N-bis(4-methoxybenzyl)imidazo[1,2-b]pyridazin-8-amine

: 2372-45-4
sodium butanolate

: C26H30N4O3

Conditions

Conditions	Yield
In butan-1-ol at 95℃;	85.8%

: 81386-50-7
4-amino-1-acetoxy-9,10-anthraquinone

: 2372-45-4
sodium butanolate

: 81386-55-2
4-Amino-9-butoxy-anthracene-1,10-dione

Conditions

Conditions	Yield
In N,N-dimethyl-formamide; butan-1-ol at 0 - 20℃; for 0.0666667h;	85.7%

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

Product Name

Sodium butanolate

Synthetic route

Sodium butanolate Specification

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