1,3-propane sultone supplier

Name
1,3-Propanesultone
EINECS 214-317-9
CAS No. 1120-71-4
Article Data22
CAS DataBase
Density 1.392 g/cm³
Solubility Slightly soluble in water
Melting Point 30-33 °C(lit.)
Formula C₃H₆O₃S
Boiling Point 297.595 °C at 760 mmHg
Molecular Weight 122.145
Flash Point 133.781 °C
Transport Information UN 2810 6.1/PG 3
Appearance Clear crystals
Safety 53-45-99
Risk Codes 45-21/22
Molecular Structure
Hazard Symbols T
Synonyms 1-Propanesulfonicacid, 3-hydroxy-, g-sultone (6CI);1,2-Oxathiolane,2,2-dioxide;1,3-Trimethylene sultone;3-Hydroxy-1-propanesulfonic acidsultone;3-Hydroxy-1-propanesulfonic acid g-sultone;NSC 42386;Propane sultone;Propyl sultone;g-Propane sultone;1,3 Propane sultone (1,3 PS);1,3 Propanesultone;1,3-Propanesultone;
PSA 51.75000
LogP 0.81730

Synthetic route

: 15909-83-8
3-hydroxypropanesulfonic acid

: 1120-71-4
1,3-propanesultone

Conditions

Conditions	Yield
Stage #1: 3-hydroxypropanesulfonic acid With pyridinium p-toluenesulfonate at 55℃; for 2.5h; Large scale; Stage #2: With calcium oxide for 2h; Temperature; Reflux; Large scale;	99.4%
With VT-6 titanium alloy at 145 - 160℃; under 1 - 3.0002 Torr;	94.8%
With 2-Butoxyethanol

: 107-18-6
allyl alcohol

: 1120-71-4
1,3-propanesultone

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; sodium hydrogensulfite; triethylamine In water at 70℃; for 6h; Reagent/catalyst; Temperature;	89%

: 24308-28-9
1,3-propanesultine

A: 1120-71-4
1,3-propanesultone

B: 1633-82-5
3-chloro-n-propanesulfonyl chloride

Conditions

Conditions	Yield
With chlorine In water	A 77% B 13%

: 24308-28-9
1,3-propanesultine

: 1120-71-4
1,3-propanesultone

Conditions

Conditions	Yield
With ruthenium trichloride; sodium hypochlorite In dichloromethane; water at 15℃; for 1h; Temperature; Solvent;	70%
With 3-chloro-benzenecarboperoxoic acid In chloroform-d1

: 19721-22-3
3-sulfanylpropanol

A: 1120-71-4
1,3-propanesultone

B: 1633-82-5
3-chloro-n-propanesulfonyl chloride

Conditions

Conditions	Yield
With chlorine In water at 0℃; for 0.166667h;	A 24% B 24%

: 56984-95-3
3-chloro-propane-1-sulfonic acid

: 1120-71-4
1,3-propanesultone

Conditions

Conditions	Yield
Unter vermindertem Druck;
at 140 - 200℃; under 750.075 Torr;	32 g

: 84145-10-8
3-hydroxy-1-propanesulfonyl chloride

: 1120-71-4
1,3-propanesultone

Conditions

Conditions	Yield
With butan-1-ol In chloroform-d1 Rate constant; Ambient temperature; further reagent and solvent : Et3N, EtOD;

: 108214-47-7
N-nitrosopropanesultam

A: 1120-71-4
1,3-propanesultone

B: 5908-62-3
isothiazolidine 1,1-dioxide

C: 15909-83-8
3-hydroxypropanesulfonic acid

Conditions

Conditions	Yield
With sodium carbonate In chloroform Product distribution; Heating; other sultams, var. reagents;	A 5 % Spectr. B 18 % Spectr. C 70 % Spectr.

...Expand

: 113309-32-3
sodium 3-hydroxy-1-propanesulfinate

A: 1120-71-4
1,3-propanesultone

B: 84145-10-8
3-hydroxy-1-propanesulfonyl chloride

Conditions

Conditions	Yield
With chlorine In dichloromethane Yield given. Yields of byproduct given;

: 5684-29-7
1,2-oxathiolane

: 1120-71-4
1,3-propanesultone

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid

: 73384-82-4
1-bromo-3-propanesulfonic acid

: 1120-71-4
1,3-propanesultone

Conditions

Conditions	Yield
at 140 - 200℃; under 750.075 Torr;	8.1 g

: 1120-71-4
1,3-propanesultone

: 109-89-7
diethylamine

: 1116-85-4
3-(diethylamino)propane-1-sulfonic acid

Conditions

Conditions	Yield
In dichloromethane at 10℃; for 1h; Product distribution / selectivity;	100%
In dichloromethane Inert atmosphere;	53%

: 1120-71-4
1,3-propanesultone

: 603-35-0
triphenylphosphine

: 116154-22-4
3-(triphenylphosphonio)propane-1-sulfonate

Conditions

Conditions	Yield
In toluene for 12h; Reflux;	100%
In tetrahydrofuran at 25℃;	95%
In toluene for 24h; Reflux;	43%

: 1120-71-4
1,3-propanesultone

: 121-44-8
triethylamine

: 1887-93-0
N-(3-sulfonatopropyl)-N,N,N-triethylammonium

Conditions

Conditions	Yield
In toluene at 90℃; for 12h;	100%
In 1,2-dichloro-ethane at 40℃; for 6h;	98.5%
In ethanol at 20℃; for 12h; Inert atmosphere;	96%

: 1120-71-4
1,3-propanesultone

: 591-27-5
m-Hydroxyaniline

: 52962-41-1
3-((3-hydroxyphenyl)amino)propane-1-sulfonic acid

Conditions

Conditions	Yield
In acetonitrile at 20℃;	100%
In butan-1-ol for 0.5h; Heating;	80%
for 0.5h; Reflux;	80%

: 1120-71-4
1,3-propanesultone

: 75-50-3
trimethylamine

: 21865-17-8
N-(3-sulfonatopropyl)-N,N,N-trimethylammonium

Conditions

Conditions	Yield
In ethanol; acetone at 0 - 20℃; for 24h;	100%
In acetone at 35℃; for 2h;	86%
In benzene

: 1120-71-4
1,3-propanesultone

: 174719-47-2
8-ethyl-4-(4-methyl-2-oxa-1-hexyl)-3,6-dioxa-1-dodecanol

: 12-ethyl-8-(4-methyl-2-oxa-1-hexyl)-4,7,10-trioxa-1-hexadecanesulfonic acid sodium salt

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 60℃; for 1h;	100%

: 1120-71-4
1,3-propanesultone

: 174719-42-7
8-ethyl-4-(5-methyl-2-oxa-1-hexyl)-3,6-dioxa-1-dodecanol

: 12-ethyl-8-(5-methyl-2-oxa-1-hexyl)-4,7,10-trioxa-1-hexadecanesulfonic acid sodium salt

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 60℃; for 1h;	100%

: 1120-71-4
1,3-propanesultone

: 102-82-9
tributyl-amine

: tri-n-butyl(3-sulfopropyl)ammonium betaine

Conditions

Conditions	Yield
In acetonitrile for 72h; Reflux;	100%
In 1,2-dichloro-ethane at 40℃; for 6h;	98%
With meta-dinitrobenzene In acetonitrile at 75℃; for 7h;	90%

: 1120-71-4
1,3-propanesultone

: 104-15-4
toluene-4-sulfonic acid

: 603-35-0
triphenylphosphine

: triphenyl(propyl-3-sulphonyl)phosphonium toluenesulfonate

Conditions

Conditions	Yield
Stage #1: 1,3-propanesultone; triphenylphosphine In toluene Heating; Stage #2: toluene-4-sulfonic acid at 70℃; for 24h; Further stages.;	100%
Stage #1: 1,3-propanesultone; triphenylphosphine In toluene for 16h; Reflux; Inert atmosphere; Stage #2: toluene-4-sulfonic acid at 90℃; for 12h;

...Expand

: 1120-71-4
1,3-propanesultone

: 24358-62-1, 27298-97-1, 45791-36-4, 64313-06-0
(R)-1-(4-bromophenyl)ethylamine

: (R)-(+)-3-[1-(4-bromophenyl)ethylamino]-1-propanesulfonic acid

Conditions

Conditions	Yield
In acetonitrile at 75℃; for 4.5h;	100%

: 1120-71-4
1,3-propanesultone

: 1271-86-9
N,N-dimethylaminomethylferrocene

: dimethyl-3-sulfopropyl(ferrocenylmethyl)ammonium

Conditions

Conditions	Yield
In ethyl acetate for 19h;	100%
In benzene a mixt. of N,N-dimethylaminomethylferrocene and 1,3-propanesultone in anhyd. benzene at room temp. for 24 h, then reflux for 1 h; cooling, treating with ether, yellow ppt. is removed by filtration, washed with ether and dried in vac.; elem. anal.;	95%

: 1120-71-4
1,3-propanesultone

: 2245-52-5
N,N-dimethyl-1-(4-vinylphenyl)-methanamine

: 172530-02-8
4-vinylbenzyldimethylammonio propanesulfonate

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol In acetonitrile at 50℃; for 24h;	100%
In acetonitrile at 49.84℃; for 48h; Inert atmosphere;	84%

: 1120-71-4
1,3-propanesultone

: 110-95-2
N,N,N'N'-tetramethyl-1,3-propanediamine

: N,N,N',N'-tetramethyl-N,N'-bis(3-sulfopropyl)-1,3-propandiyldiammonium bis(hydrogensulfate)

Conditions

Conditions	Yield
Stage #1: 1,3-propanesultone; N,N,N'N'-tetramethyl-1,3-propanediamine In 1,2-dichloro-ethane at 55 - 60℃; for 2.25h; Inert atmosphere; Stage #2: With sulfuric acid In water at 80℃; for 2h;	100%

: 1120-71-4
1,3-propanesultone

: 111-18-2
N,N,N',N'-tetramethylhexamethylenediamine

: N,N,N',N'-tetramethyl-N,N'-bis(3-sulfopropyl)-1,6-hexandiyldiammonium bis(hydrogensulfate)

Conditions

Conditions	Yield
Stage #1: 1,3-propanesultone; N,N,N',N'-tetramethylhexamethylenediamine In 1,2-dichloro-ethane at 55 - 60℃; for 2.25h; Inert atmosphere; Stage #2: With sulfuric acid In water at 80℃; for 2h;	100%

: 1120-71-4
1,3-propanesultone

: 768385-35-9
4-dimethylamino-butyric acid benzyl ester

: 1349808-78-1
C16H25NO5S

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-pyridine In N,N-dimethyl-formamide at 150℃; Inert atmosphere;	100%
With 2,6-di-tert-butyl-pyridine at 150℃; for 1h; Inert atmosphere;

: 280-57-9
1,4-diaza-bicyclo[2.2.2]octane

: 1120-71-4
1,3-propanesultone

: N,N'-bis(3-sulfopropyl)triethylenediaminium bis(hydrogensulfate)

Conditions

Conditions	Yield
Stage #1: 1,4-diaza-bicyclo[2.2.2]octane; 1,3-propanesultone In tetrahydrofuran for 24h; Reflux; Stage #2: With sulfuric acid at 170℃; for 20h;	100%

: 1120-71-4
1,3-propanesultone

: 112-18-5
N,N-dimethylaminododecane

: 1187184-73-1
3-(N,N-dimethyldodecylammonium)propanesulfonic acid hydrogen sulphate

Conditions

Conditions	Yield
Stage #1: 1,3-propanesultone; N,N-dimethylaminododecane In water at 65 - 70℃; for 1.25h; Inert atmosphere; Stage #2: With sulfuric acid In water at 20 - 80℃; for 2h; Inert atmosphere;	100%
In ethyl acetate at 55℃; for 3h;	96%
With sulfuric acid; water

: 1120-71-4
1,3-propanesultone

: 1567883-58-2
C24H23F3N2O4

: C27H29F3N2O7S

Conditions

Conditions	Yield
In acetonitrile at 120℃; for 120h; Schlenk technique; Inert atmosphere;	100%

: 1120-71-4
1,3-propanesultone

: C27H27F3N2O4

: C30H33F3N2O7S

Conditions

Conditions	Yield
In acetonitrile at 120℃; for 120h; Schlenk technique; Inert atmosphere;	100%

: 1120-71-4
1,3-propanesultone

: 717110-52-6
1-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazole

: 1-(2,4,6-trimethylphenyl)-3-(3-sulfonatopropyl)imidazolidinium

Conditions

Conditions	Yield
In dichloromethane for 12h; Reflux;	100%

: 1120-71-4
1,3-propanesultone

: 102-69-2
tri-n-propylamine

: C12H27NO3S

Conditions

Conditions	Yield
In acetonitrile for 24h; Reflux;	100%
In 1,2-dichloro-ethane at 30℃; for 6h;	98%

: 1120-71-4
1,3-propanesultone

: 998-40-3
tributylphosphine

: tributylphosponiumpropane sulfonate

Conditions

Conditions	Yield
In acetonitrile for 72h; Reflux; Inert atmosphere;	100%
In chloroform at 40℃; for 168h; Inert atmosphere;	91%

: 1120-71-4
1,3-propanesultone

: 142-73-4
iminodiacetic acid

: 2,2'-((3-sulfopropyl)azanediyl)diacetic acid

Conditions

Conditions	Yield
In water at 85℃; for 4h;	100%
In water at 85℃; for 4h;
With water at 85℃; for 4h;

: 1120-71-4
1,3-propanesultone

: 1116-76-3
Tri-n-octylamine

: C28H59NO2S

Conditions

Conditions	Yield
In toluene for 72h; Reflux;	100%

: 1120-71-4
1,3-propanesultone

: 540-38-5
4-Iodophenol

: 1356380-94-3
C9H10IO4S(1-)*Na(1+)

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane at 20℃; for 4h; Inert atmosphere;	99.9%

: 616-47-7
1-methyl-1H-imidazole

: 1120-71-4
1,3-propanesultone

: 3-(3-methyl-1H-imidazol-3-ium-1-yl)propane-1-sulfonate

Conditions

Conditions	Yield
In acetone at 20℃; for 24h;	99%
In neat (no solvent) at 50℃; for 6h;	97%
In neat (no solvent) at 50℃; for 6h;	97%

: 1120-71-4
1,3-propanesultone

: 342889-57-0
2,7-bis(4-pyridyl)-9,9-dipropylfluorene

: 9,9-dipropyl-2,7-bis(1-sulfopropyl-4-pyridinium)fluorene

Conditions

Conditions	Yield
In benzonitrile at 140℃; for 0.25h;	99%

: 1120-71-4
1,3-propanesultone

: 148171-75-9
Dimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-undecyl)amine

: 3-[dimethyl(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)ammonium]propanesulfonate

Conditions

Conditions	Yield
In acetonitrile for 20h; Heating;	99%

: 1120-71-4
1,3-propanesultone

: 4,5-dihydro-1-[3-(triethoxysilyl)propyl]imidazole

: 1210973-96-8
3-(1-(3-(trimethoxysilyl)propyl)-4,5-dihydro-1H-imidazol-3-ium-3-yl)propane-1-sulfonate

Conditions

Conditions	Yield
In acetonitrile at 0 - 80℃; for 8.5h;	99%
at 40℃; for 0.5h;

1,3-propane sultone Specification

1.Introduction of 1,3-propane sultone

1,3-propane sultone had been manufactured and used in limited amounts in the 1950s and 1960s, and for a very few purposes until the 1970s.it is colorless or yellowish transparent liquid when above 31℃,and colorless transparent crystal when below 31℃.it is an important chemical intermediates.1,3-propane sultone(1120-71-4) is hardly soluble in water.In the German chemical industry.1,3-propane sultone should be stored in shady and cool warehouse and mainlly used as surfactant and pharmaceutical Intermediates .

2.Properties of 1,3-propane sultone

(1)ACD/LogP: -0.776 (2)ACD/LogD (pH 5.5): -0.78 (3)ACD/LogD (pH 7.4): -0.78
(4) ACD/BCF (pH 5.5): 1.00 (5)ACD/BCF (pH 7.4): 1.00 (6) ACD/KOC (pH 5.5): 9.01 ACD/KOC (pH 7.4): 9.01
(7) Polar Surface Area: 51.75 ?2 (8) Index of Refraction: 1.478 Molar Refractivity: 24.447 cm3
(9) Molar Volume: 86.333 cm3 Polarizability: 9.692 10-24cm3 (10) Surface Tension: 40.1710014343262 dyne/cm Density: 1.415 g/cm3
(11) Flash Point: 133.781 °C (12)Enthalpy of Vaporization: 51.595 kJ/mol (13) Boiling Point: 297.595 °C at 760 mmHg Vapour Pressure: 0.0020000000949949 mmHg at 25°C

3.Structure descriptors of 1,3-propane sultone

SMILES:C1COS(=O)(=O)C1

Std. InChI:InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2

Std. InChIKey:FSSPGSAQUIYDCN-UHFFFAOYSA-N

4.Safty informations of 1,3-propane sultone

Hazard Codes : Toxic T

Risk Statements: R45:May cause cancer ;R21/22 :Harmful in contact with skin and if swallowed .
Safety Statements :S53:Avoid exposure - obtain special instruction before use;S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR : UN 2810 6.1/PG 3

WGK Germany : 3

5.Taxicity of 1,3-propane sultone

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	source
mouse	LD50	intraperitoneal	100mg/kg (100mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	National Technical Information Service. Vol. OTS0555330
mouse	LD50	oral	400mg/kg (400mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	National Technical Information Service. Vol. OTS0555330
mouse	LDLo	skin	1000gm/kg (1000000mg/kg)		Toxicology. Vol. 6, Pg. 139, 1976.
rat	LDLo	inhalation	2140mg/m3/6H (2140mg/m3)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION	National Technical Information Service. Vol. OTS0555330
rat	LD50	intraperitoneal	100mg/kg (100mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	National Technical Information Service. Vol. OTS0555330,
rat	LD50	oral	100mg/kg (100mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	National Technical Information Service. Vol. OTS0555330,
rat	LD50	subcutaneous	135mg/kg (135mg/kg)		Zeitschrift fuer Krebsforschung. Vol. 75, Pg. 69, 1970

Product Name

1,3-Propanesultone

Synthetic route

1,3-propane sultone Specification

Related Products

Hot Products