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4-Pyridineethanesulfonic acid

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Name

4-Pyridineethanesulfonic acid

EINECS 258-331-3
CAS No. 53054-76-5 Density 1.397 g/cm3
PSA 75.64000 LogP 1.59270
Solubility soluble in acid and alkaline, almost insoluble water, cold methanol and ethanol. Melting Point 297-299 ºC (dec.)
Formula C7H9 N O3 S Boiling Point °Cat760mmHg
Molecular Weight 187.219 Flash Point °C
Transport Information UN 2585 Appearance Off-White to light yellow Powder
Safety S26 S36/37/39 45 Risk Codes R36/37/38   
Molecular Structure Molecular Structure of 53054-76-5 (4-Pyridineethanesulfonic acid) Hazard Symbols
Synonyms

2-(4-Pyridyl)ethanesulfonicacid; 4-(2-Sulfoethyl)pyridine; 4-Pyridylethylsulfonic acid; NSC 87853; g-(2-Sulfoethyl)pyridine

 

4-Pyridineethanesulfonic acid Synthetic route

100-43-6

4-vinylpyridine

53054-76-5

2-(pyridin-4-yl)-ethanesulfonic acid

Conditions
ConditionsYield
With sodium hydrogensulfite In water at 20℃;90%
With water; sodium hydrogensulfite
With ethanol; sulfur dioxide
100-43-6

4-vinylpyridine

sodium hydrogensulfite

53054-76-5

2-(pyridin-4-yl)-ethanesulfonic acid

53054-76-5

2-(pyridin-4-yl)-ethanesulfonic acid

20667-12-3

silver(l) oxide

[μ3-2-(4-pyridyl)ethanesulfonato-N,O,O']-aqua-silver(I)

Conditions
ConditionsYield
In methanol; water mixt. of 2-(4-pyridyl)ethanesulfonic acid and Ag2O in CH3OH/H2O heated to 40°C for 1 h with vigorously stirring; cooled; filtered; crystals were obtained from mother liquor by slow evapn. at room temp. for several ds; elem. anal.;85%
53054-76-5

2-(pyridin-4-yl)-ethanesulfonic acid

2-(pyridin-4-yl)ethanesulfonyl chloride hydrochloride

Conditions
ConditionsYield
With phosphorus pentachloride In trichlorophosphate at 0 - 60℃; for 2h;78%
With trichlorophosphate In tetrachloromethane
108-78-1

2,4,6-triamino-s-triazine

53054-76-5

2-(pyridin-4-yl)-ethanesulfonic acid

silver perchlorate

736149-73-8

melamine-[2-(4-pyridyl)ethanesulfonato-N]-silver(I)

Conditions
ConditionsYield
In methanol mixt. of 2-(4-pyridyl)ethanesulfonic acid, melamine and AgClO4 in CH3OH heated to 40°C for 1 h with vigorously stirring; cooled; filtered; ppt. dissolved in DMSO; crystals were obtained by slow evapn. at room temp. for several ds; elem. anal.;62%
66-71-7

1,10-Phenanthroline

53054-76-5

2-(pyridin-4-yl)-ethanesulfonic acid

copper(II) nitrate trihydrate

diaqua(1,10-phenanthroline)copper(II) sulfate

Conditions
ConditionsYield
In methanol; water at 130℃; for 72h; Autoclave;60%
53054-76-5

2-(pyridin-4-yl)-ethanesulfonic acid

123-08-0

4-hydroxy-benzaldehyde

111260-13-0

3-(4-Hydroxyphenyl)-2-(4-pyridinio)-2-propenesulfonate

Conditions
ConditionsYield
With piperidine In dimethyl sulfoxide at 110℃; for 12h;5%
53054-76-5

2-(pyridin-4-yl)-ethanesulfonic acid

123-11-5

4-methoxy-benzaldehyde

111260-14-1

3-(4-Methoxyphenyl)-2-(4-pyridinio)-2-propenesulfonate

Conditions
ConditionsYield
With piperidine In dimethyl sulfoxide5%
53054-76-5

2-(pyridin-4-yl)-ethanesulfonic acid

N-3-(4-piperidineethanesulfonyl)-nipecotyl-3-aminopropionic acid.HCl

Conditions
ConditionsYield
With 4-methyl-morpholine; hydrogenchloride; hydrogen; benzyl chloroformate; platinum(IV) oxide
53054-76-5

2-(pyridin-4-yl)-ethanesulfonic acid

Zn(ClO4)2·2H2O

292859-25-7

tetraaquabis[2-(4-pyridyl)ethanesulfonato-N]zinc(II)

Conditions
ConditionsYield
With pyridine; water 2-(4-pyridyl)ethanesulfonic acid and Zn(ClO4)2*2H2O added to water and pyridine; soln. was evapd. at room temp. for a few days;

4-Pyridineethanesulfonic acid Chemical Properties

The molecular structure of 4-Pyridineethanesulfonic acid (CAS NO.53054-76-5) is

IUPAC Name: 2-Pyridin-4-ylethanesulfonic acid 
Canonical SMILES: C1=CN=CC=C1CCS(=O)(=O)O
Molecular Formula: C7H9 NO3S
Molecular Weight: 187.21
EINECS: 258-331-3
Density: 1.397 g/cm3
Melting Point: 297-299 ºC (dec.)
Solubility: soluble in acid and alkaline, almost insoluble water, cold methanol and ethanol.
Appearance: Off-White to light yellow Powder
Freely Rotating Bonds: 3
Polar Surface Area: 64.64 Å2
Index of Refraction: 1.573
Molar Refractivity: 44.16 cm3
Molar Volume: 134 cm3
Polarizability: 17.5 ×10-24 cm3
Surface Tension: 63.2 dyne/cm
The Cas Register Number  of 4-Pyridineethanesulfonic acid is 53054-76-5. The chemical synonyms of 4-Pyridineethanesulfonic acid (CAS NO.53054-76-5) are Pyrid-4-ylethylsulfonic acid ; Pyridin-4-ylethanesulphonic acid ; 4-Pyridyl-2-ethyl sulfonic acid ; 4-Pyridineethenesulfonic acid ; 4-Pyridineethanesulfonic acid .

4-Pyridineethanesulfonic acid Uses

 4-Pyridineethanesulfonic acid (CAS NO.53054-76-5) is used in organic synthesis and as  pharmaceutical intermediates, sickle cell hemoglobin gelation inhibitor .

4-Pyridineethanesulfonic acid Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2585 8/PG 3
WGK Germany: 2
HazardClass: 8
PackingGroup: III

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