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Name |
3,4-Ethylenedioxythiophene |
EINECS | 1806241-263-5 |
CAS No. | 126213-50-1 | Density | 1.319 g/cm3 |
PSA | 46.70000 | LogP | 1.51930 |
Solubility | Immsicible with water. Miscible with alcohol and ether. | Melting Point |
10 °C |
Formula | C6H6O2S | Boiling Point | 210.494 °C at 760 mmHg |
Molecular Weight | 142.178 | Flash Point | 81.104 °C |
Transport Information | UN 2810 6.1/PG 3 | Appearance | near colorless to pale yellow liquid with slightly unpleasant ordr |
Safety | 26-36 | Risk Codes | 21/22-36 |
Molecular Structure | Hazard Symbols | Xn,Xi | |
Synonyms |
2,3-Dihydrothieno[3,4-b]-1,4-dioxin;3,4-Ethyleneoxythiophene;EDOT;3,4-Ethylenedioxythiophene(EDOT); |
Article Data | 25 |
3,4-ethylenedioxythiophene-2,5-dicarboxyllic acid
3,4-(ethylenedioxy)thiophene
Conditions | Yield |
---|---|
copper In ethylene glycol at 20 - 140℃; for 8.5h; | 98% |
copper (II) carbonate hydroxide In polyethylene glycol 300 for 20h; Heating / reflux; | 96% |
copper (II) carbonate hydroxide In sulfolane at 140℃; for 8h; | 95% |
2,3-dihydro-thieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid diethyl ester
3,4-(ethylenedioxy)thiophene
Conditions | Yield |
---|---|
With copper(II) oxide; zinc(II) oxide In water; N,N-dimethyl-formamide at 115℃; for 3h; Catalytic behavior; Temperature; | 97.9% |
With sodium chloride In dimethyl sulfoxide at 120℃; for 6h; Time; | 84% |
Multi-step reaction with 2 steps 1: 95 percent / KOH / ethanol / 3 h / Heating 2: 68 percent / CuO; quinoline / 5 h / 200 °C View Scheme | |
Multi-step reaction with 2 steps 1: 100 percent / potassium hydroxide / ethanol / 3 h / Heating 2: 54 percent / copper bronze, quinoline / 4 h / 180 - 200 °C View Scheme | |
Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / 0.08 h / 100 °C / Microwave irradiation 1.2: 20 °C / pH 2.0 2.1: copper chromite / N,N-dimethyl-formamide / 0.33 h / 153 °C / Microwave irradiation View Scheme |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene at 95℃; for 96h; Inert atmosphere; | 84% |
With toluene-4-sulfonic acid In toluene Heating; | 65% |
With toluene-4-sulfonic acid In methanol; toluene at 100℃; for 3h; Reagent/catalyst; Inert atmosphere; | 46.7% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid; hydroquinone In o-xylene at 137 - 142℃; for 4h; Reagent/catalyst; Inert atmosphere; | 84% |
3,4-(ethylenedioxy)thiophene
Conditions | Yield |
---|---|
Purification / work up; | 76% |
2,5-bis(trimethylsilyl)-3,4-ethylenedioxythiophene
3,4-(ethylenedioxy)thiophene
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride | 70% |
diethinyl glycol
3,4-(ethylenedioxy)thiophene
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); tiolacetic acid In toluene at 80℃; for 5h; Inert atmosphere; Schlenk technique; Green chemistry; | 48% |
Conditions | Yield |
---|---|
With potassium phosphate; copper(l) iodide; 8-quinolinol In N,N-dimethyl-formamide at 120℃; for 24h; Reagent/catalyst; Solvent; | A 43% B 15% |
3,4-(ethylenedioxy)thiophene
Conditions | Yield |
---|---|
With sulfur; copper(l) iodide In toluene at 180℃; for 6h; Reagent/catalyst; Temperature; Microwave irradiation; Sealed tube; | 37% |
(3S*,4R*)-tetrahydro-3,4-ethylenedioxythiophene
3,4-(ethylenedioxy)thiophene
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In chlorobenzene for 9h; Inert atmosphere; Reflux; | 23% |
1. Introduction of 3,4-Ethylenedioxythiophene
3,4-Ethylenedioxythiophene, its cas register number is 126213-50-1. The IUPAC Name of 3,4-Ethylenedioxythiophene is 2,3-Dihydrothieno[3,4-b][1,4]dioxine. 3,4-Ethylenedioxythiophene can also be called 2,3-Dihydrothieno[3,4-b][1,4]dioxine and 2,3-Dihydro-thieno[3,4-b][1,4]dioxine. Its classification code are TSCA Flag P [A commenced PMN (Premanufacture Notice) substance] and TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA] .
2. Properties of 3,4-Ethylenedioxythiophene
Index of Refraction: 1.57
Molar Refractivity: 35.41 cm3
Molar Volume: 107.8 cm3
Density: 1.318 g/cm3
Flash Point: 81.1 °C
Polarizability: 14.03 10-24cm3
Surface Tension: 49.3 dyne/cm
Enthalpy of Vaporization: 42.86 kJ/mol
Boiling Point: 210.5 °C at 760 mmHg
Vapour Pressure: 0.278 mmHg at 25 °C
Product Categories of 3,4-Ethylenedioxythiophene: Thiophenes; Sulphur Derivatives; Thiophens; Thiophen
3. Structure Descriptors of 3,4-Ethylenedioxythiophene
Canonical SMILES: C1COC2=CSC=C2O1
InChI: InChI=1S/C6H6O2S/c1-2-8-6-4-9-3-5(6)7-1/h3-4H,1-2H2
InChIKey: GKWLILHTTGWKLQ-UHFFFAOYSA-N
4. Safety Information of 3,4-Ethylenedioxythiophene
Hazard Codes: Xn,Xi
Risk Statements: 21/22-36
R21/22:Harmful in contact with skin and if swallowed.
R36:Irritating to eyes.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 2