4-Fluoro-1,3-dioxolan-2-one supplier

Name
4-Fluoro-1,3-dioxolan-2-one
EINECS 483-360-5
CAS No. 114435-02-8
Article Data20
CAS DataBase
Density 1.41 g/cm³
Solubility Slightly miscible with water.
Melting Point 18-23℃
Formula C₃H₃FO₃
Boiling Point 249.5 °C at 760 mmHg
Molecular Weight 106.053
Flash Point 101.7 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 22-36/38-43-48/22
Molecular Structure
Hazard Symbols Xn
Synonyms Fluoroethylene carbonate;
PSA 35.53000
LogP 0.44880

Synthetic route

: 96-49-1
[1,3]-dioxolan-2-one

: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

Conditions

Conditions	Yield
With N-fluorobis(benzenesulfon)imide at 120℃; for 0.5h; Reagent/catalyst; Sealed tube;	98.2%
With fluorine at 5℃; Electrolysis;	94%
With fluorine at 50℃;	70%

: 3967-54-2
4-chloro-1,3-dioxolan-2-one

: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

Conditions

Conditions	Yield
With potassium fluoride; 5,11,17,23,29,35-hexakis(tert-butyl)-37,38,39,40,41-hexakis(hydroxy)calix[6]arene; carbonic acid dimethyl ester at 60℃; for 1.5h; Reagent/catalyst; Temperature;	95.6%
With triethylamine tris(hydrogen fluoride); triethylamine In ethyl acetate at 80℃; for 1h; Product distribution / selectivity;	70%

: 96-49-1
[1,3]-dioxolan-2-one

: cis-4,5-difluoroethylene carbonate

: trans-4,5-difluoro-1,3-dioxolane-2-one

C: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

D: 4,4-difluoro-1,3-dioxolan-2-one

Conditions

Conditions	Yield
With fluorine at 45 - 55℃; under 73.5576 Torr; Product distribution / selectivity;	A n/a B n/a C 78.4% D n/a
With fluorine at 23.9 - 31.2℃; under 15.0015 Torr; Inert atmosphere;

...Expand

: 304881-41-2
4-(p-chlorophenylthio)-1,3-dioxolan-2-one

: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

Conditions

Conditions	Yield
With triethylamine pentahydrogen fluoride salt In dichloromethane at 20℃; Electrolysis; Pt electrodes;	75%

: 304881-41-2
4-(p-chlorophenylthio)-1,3-dioxolan-2-one

A: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

B: 4-fluoro-4-(p-chlorophenylthio)-1,3-dioxolan-2-one

Conditions

Conditions	Yield
With tetraethylammonium fluoride In 1,2-dimethoxyethane at 20℃; Electrolysis; Pt electrodes;	A 20 % Spectr. B 70%
With tetraethylammonium fluoride In 1,2-dimethoxyethane at 20℃; Product distribution; Further Variations:; Reagents; Solvents; Fluorination; Electrolysis;	A 20 % Spectr. B 80 % Spectr.

: 398490-68-1
4-(p-bromophenylthio)-1,3-dioxolan-2-one

A: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

B: 4-fluoro-4-(p-bromophenylthio)-1,3-dioxolan-2-one

Conditions

Conditions	Yield
With tetraethylammonium fluoride In 1,2-dimethoxyethane at 20℃; Electrolysis; Pt electrodes;	A 4 % Spectr. B 66%

: 4-phenylthio-1,3-dioxolane-2-one

A: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

B: 4-fluoro-4-phenylthio-1,3-dioxolan-2-one

Conditions

Conditions	Yield
With tetraethylammonium fluoride In 1,2-dimethoxyethane at 20℃; Electrolysis; Pt electrodes;	A 28 % Spectr. B 44%
With tetraethylammonium fluoride In dichloromethane at 20℃; Product distribution; Further Variations:; Reagents; Solvents; Fluorination; Electrolysis;	A 29 % Spectr. B 16 % Spectr.
With triethylamine pentahydrogen fluoride salt In dichloromethane at 20℃; Electrolysis; Pt electrodes;	A 67 % Spectr. B n/a

: 398490-67-0
4-(p-tolylthio)-1,3-dioxolan-2-one

: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

Conditions

Conditions	Yield
With triethylamine pentahydrogen fluoride salt In dichloromethane at 20℃; Electrolysis; Pt electrodes;	40 % Spectr.

: 398490-67-0
4-(p-tolylthio)-1,3-dioxolan-2-one

A: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

B: 4-fluoro-4-(p-tolylthio)-1,3-dioxolan-2-one

C: 4-(p-fluoromethylphenylthio)-1,3-dioxolan-2-one

D: 4-fluoro-4-(toluene-4-sulfinyl)-[1,3]dioxolan-2-one

Conditions

Conditions	Yield
With tetraethylammonium fluoride In 1,2-dimethoxyethane at 20℃; Electrolysis; Pt electrodes;	A 23 % Spectr. B 4 % Spectr. C 5 % Spectr. D 14 % Spectr.

...Expand

: 398490-69-2
4-(p-methoxyphenylthio)-1,3-dioxolan-2-one

: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

Conditions

Conditions	Yield
With triethylamine pentahydrogen fluoride salt In dichloromethane at 20℃; Electrolysis; Pt electrodes;	62 % Spectr.

: 398490-69-2
4-(p-methoxyphenylthio)-1,3-dioxolan-2-one

A: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

B: 4-fluoro-4-(4-methoxy-phenylsulfanyl)-[1,3]dioxolan-2-one

C: 4-fluoro-4-(4-methoxy-benzenesulfinyl)-[1,3]dioxolan-2-one

Conditions

Conditions	Yield
With tetraethylammonium fluoride In 1,2-dimethoxyethane at 20℃; Electrolysis; Pt electrodes;	A 41 % Spectr. B n/a C 12 % Spectr.

...Expand

: 398490-68-1
4-(p-bromophenylthio)-1,3-dioxolan-2-one

: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

Conditions

Conditions	Yield
With triethylamine pentahydrogen fluoride salt In dichloromethane at 20℃; Electrolysis; Pt electrodes;	54 % Spectr.

: 4-phenylthio-1,3-dioxolane-2-one

: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

Conditions

Conditions	Yield
With triethylamine pentahydrogen fluoride salt; tetraethylammonium chloride at 20℃; Electrochemical reaction;	89 %Spectr.
With triethylamine pentahydrogen fluoride salt; tetraethylammonium bromide In dichloromethane at 20℃; Electrochemical reaction;	78 %Spectr.

: 96-49-1
[1,3]-dioxolan-2-one

: trans-4,5-difluoro-1,3-dioxolane-2-one

B: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

Conditions

Conditions	Yield
With fluorine at 50℃; Product distribution / selectivity; Inert atmosphere;

: 96-49-1
[1,3]-dioxolan-2-one

: cis-4,5-difluoroethylene carbonate

: trans-4,5-difluoro-1,3-dioxolane-2-one

C: 857463-44-6
trifluoroethylene carbonate

D: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

E: 4,4-difluoro-1,3-dioxolan-2-one

Conditions

Conditions	Yield
With fluorine at 20.8 - 25.8℃; under 1875.19 Torr; Inert atmosphere;

...Expand

: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

A: 4,4-difluoro-1,3-dioxolan-2-one

B: cis-4,5-difluoro-1,3-dioxolan-2-one

: trans-4,5-difluoro-1,3-dioxolan-2-one

Conditions

Conditions	Yield
With fluorine	A 5% B 11% C 59%

...Expand

: 114435-02-8
4-fluoro-1,3-dioxolane-2-one

: 4-fluoro-5-chloroethylene carbonate

Conditions

Conditions	Yield
With N-chloro-succinimide In tetrahydrofuran at 35℃; for 8h; Reagent/catalyst; Solvent; Temperature;

4-Fluoro-1,3-dioxolan-2-one Specification

The 1,3-Dioxolan-2-one,4-fluoro-, with the CAS registry number 114435-02-8, has the IUPAC name of 4-fluoro-1,3-dioxolan-2-one. And the molecular formula of this chemical is C₃H₃FO₃. It is a kind of organic compound, and should be stored in the dry and cool environment.

The physical properties of 1,3-Dioxolan-2-one,4-fluoro- are as following: (1)ACD/LogP: -0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.92; (4)ACD/LogD (pH 7.4): -0.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.55; (8)ACD/KOC (pH 7.4): 7.55; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.384; (14)Molar Refractivity: 17.58 cm³; (15)Molar Volume: 75 cm³; (16)Polarizability: 6.96×10^-24cm³; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 101.7 °C; (20)Enthalpy of Vaporization: 48.67 kJ/mol; (21)Boiling Point: 249.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0228 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCC(F)O1
(2)InChI: InChI=1/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2
(3)InChIKey: SBLRHMKNNHXPHG-UHFFFAOYAT

Product Name

4-Fluoro-1,3-dioxolan-2-one

Synthetic route

4-Fluoro-1,3-dioxolan-2-one Specification

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