Conditions | Yield |
---|---|
With C13H22N4O6S2(2+)*2CF3O3S(1-) In water at 130℃; for 2h; Reagent/catalyst; | 95.4% |
Conditions | Yield |
---|---|
at 60 - 95℃; for 3h; Concentration; Temperature; | 94.3% |
With phosphoric acid | |
With phosphoric acid; water |
Conditions | Yield |
---|---|
With sulfur dioxide at 105 - 164℃; for 4h; | 85% |
Conditions | Yield |
---|---|
With zinc(II) chloride at 130 - 150℃; | 77% |
Conditions | Yield |
---|---|
With iron(III) chloride hexahydrate; sodium nitrite at 50℃; for 24h; UV-irradiation; | 71% |
Conditions | Yield |
---|---|
In toluene | 69% |
Conditions | Yield |
---|---|
With bismuth(lll) trifluoromethanesulfonate In 1,4-dioxane at 100℃; for 3h; Sealed tube; | 66% |
With iron(III) chloride | |
With phosphoric acid at 100℃; im Rohr; | |
With hydrogenchloride at 100℃; |
2-ethoxy-1,3-dioxolane
A
1,3-DIOXOLANE
B
ethanol
C
2-ethoxymethoxy-ethanol
Conditions | Yield |
---|---|
With diisobutylaluminium hydride In hexane at 35 - 40℃; | A 45% B n/a C 45% |
Conditions | Yield |
---|---|
With zinc(II) chloride at 130 - 150℃; | 31% |
Conditions | Yield |
---|---|
With H2 In decalin High Pressure; 71.5 atm H2 at room temp., heated to 200°C and stirred for 24 h; pressure realesed, detn. by GC and GC-MS; | A 27% B n/a |
Conditions | Yield |
---|---|
With zinc(II) chloride at 130 - 150℃; | 27% |
Conditions | Yield |
---|---|
With zinc(II) chloride at 130 - 150℃; | 24% |
Conditions | Yield |
---|---|
With sulfuric acid; water Erhitzen des mit Calciumchlorid versetzten Reaktionsgemisches mit Aethylenglykol unter Zusatz von wss. Salzsaeure; | |
With sulfuric acid; water Erhitzen des mit Calciumchlorid versetzten Reaktionsgemisches mit Aethylenglykol unter Zusatz von wss. Salzsaeure; |
[1,3,5,7,2,6]tetroxadithiocane 2,2,6,6-tetraoxide
ethylene glycol
1,3-DIOXOLANE
Conditions | Yield |
---|---|
With water |
2-ethoxy-1,3-dioxolane
triethylsilane
A
1,3-DIOXOLANE
B
ethoxytriethylsilane
C
1,2-bis (triethylsilyloxy) ethane
Conditions | Yield |
---|---|
With nickel at 65℃; for 2h; Yield given. Further byproducts given. Yields of byproduct given; |
1,2-di(1,3-dioxolan-2-yloxy)ethane
A
1,3-DIOXOLANE
B
2-ethoxy-1,3-dioxolane
C
[1,3]-dioxolan-2-one
D
(1,3-dioxolan-2-yloxy)ethanal
E
2-(1,3-dioxolan-2-yloxy)ethyl carbonate
F
formic acid ethyl ester
Conditions | Yield |
---|---|
With di-tert-butyl peroxide at 130℃; for 0.5h; Product distribution; | A 0.01 mol B 0.08 mol C 0.08 mol D 0.02 mol E 0.009 mol F 0.01 mol |
carbon monoxide
A
1,3-DIOXOLANE
B
propan-1-ol
C
ethanol
D
ethylene glycol
Conditions | Yield |
---|---|
With 2-hydroxypyridin; hydrogen; acetylacetonatodicarbonylrhodium(l) In various solvent(s) at 230℃; under 1499480 Torr; for 4.5h; Further byproducts given. Title compound not separated from byproducts; | A 2 mmol B 121 mmol C 191 mmol D 1000 mmol |
ethylene glycol
A
1,3-DIOXOLANE
B
2-methyl-1,3-dioxolane
C
2-hydroxymethyl-1,3-dioxolane
D
formic acid
E
acetic acid
Conditions | Yield |
---|---|
With iron(III)-acetylacetonate; oxygen In water at 150℃; for 100h; Product distribution; other acetloacetonates, also in basic solution; |
A
1,3-DIOXOLANE
B
trans-9,10-dihydroxy-9,10-diphenyl-9,10-dihydroanthracene
Conditions | Yield |
---|---|
at 55℃; under 60 Torr; Thermodynamic data; ΔE(act.), var. temp and pressure; |
Conditions | Yield |
---|---|
With boron trifluoride-butyl ether complex In cyclohexane at 70℃; Title compound not separated from byproducts; | |
With boron trifluoride-butyl ether complex In cyclohexane at 70℃; Kinetics; | |
With boron trifluoride-butyl ether complex In cyclohexane at 70℃; | A n/a B n/a C 33 % Chromat. |
Conditions | Yield |
---|---|
at 140℃; |
[1,3,5,7,2,6]tetroxadithiocane 2,2,6,6-tetraoxide
water
ethylene glycol
1,3-DIOXOLANE
Conditions | Yield |
---|---|
at 140℃; |
Conditions | Yield |
---|---|
In n-heptane at 20℃; Equilibrium constant; Thermodynamic data; 1/K=0.85 l/mole ΔH=3.0 kcal/mole; |
1,3-DIOXOLANE
Conditions | Yield |
---|---|
With CO; H2 In decalin in presence of 34 atm CO; | 0% |
Conditions | Yield |
---|---|
With H5V2Mo10O40*34H2O In sulfolane Kinetics; Mechanism; Temperature; Time; Inert atmosphere; |
carbon dioxide
ethylene glycol
A
1,3-DIOXOLANE
B
2,2'-methanediyldioxy-bis-ethanol
C
ethylene glycol monoformate
Conditions | Yield |
---|---|
With aluminium(III) triflate; [Ru(1,1,1-tris(diphenylphosphinomethyl)ethane)(trimethylenemethane)]; hydrogen In 1,4-dioxane at 80℃; under 60006 Torr; for 18h; Catalytic behavior; Solvent; Autoclave; Schlenk technique; |
Conditions | Yield |
---|---|
With aluminium(III) triflate; [Ru(1,1,1-tris(diphenylphosphinomethyl)ethane)(trimethylenemethane)]; hydrogen In 1,4-dioxane at 80℃; under 60006 Torr; for 18h; Catalytic behavior; Autoclave; Schlenk technique; |
Conditions | Yield |
---|---|
With zinc(II) chloride In diethyl ether at 19 - 27℃; for 5.33333h; | 100% |
Stage #1: 1,3-DIOXOLANE With zinc(II) chloride at 20℃; for 0.5h; Inert atmosphere; Stage #2: acetyl chloride at 20 - 80℃; for 22h; Inert atmosphere; | 92% |
With zinc(II) chloride | 83% |
Conditions | Yield |
---|---|
at 0 - 20℃; | 100% |
for 2h; | 93% |
at 0℃; | 88% |
1,3-DIOXOLANE
acetaldehyde enolate
Conditions | Yield |
---|---|
With amide at 24.9℃; OH-; | 100% |
1,3-DIOXOLANE
(S)-α,α-(2-thiophenylethylamino)(2-chlorophenyl)acetonitrile hydrochloride
(S)-2-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetonitrile
Conditions | Yield |
---|---|
at 90℃; for 11h; | 100% |
1,3-DIOXOLANE
homoveratrylamine hydrochloride
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Conditions | Yield |
---|---|
With hydrogenchloride | 99.8% |
1,3-DIOXOLANE
(S,E)-3-(p-tolylsulfinyl)-3-pentene-2-one
Conditions | Yield |
---|---|
With benzophenone for 0.166667h; Addition; Irradiation; | 99% |
Conditions | Yield |
---|---|
With (Bu4N)2S2O8 at 25℃; for 3h; Inert atmosphere; regioselective reaction; | 99% |
With 1-(tert-butylperoxy)-1,2-benziodoxol-3(1H)-one at 50℃; for 24h; | 76% |
Conditions | Yield |
---|---|
With copper(II) bis(trifluoromethanesulfonate) In benzene at 80℃; for 4h; | 99% |
With dirhodium tetraacetate at 60℃; for 2h; Inert atmosphere; | 90% |
Conditions | Yield |
---|---|
-80°C; | 98.8% |
1,3-DIOXOLANE
(S,E)-3-[(2,4,6-triisopropylphenyl)sulfinyl]-3-pentene-2-one
(3R,4R,RS)-5,5-ethylenedioxy-4-methyl-3-[(2,4,6-triisopropylphenyl)sulfinyl]-2-pentanone
Conditions | Yield |
---|---|
With benzophenone for 0.166667h; Addition; Irradiation; | 98% |
1,3-DIOXOLANE
methyl crotonate
methyl 4,4-ethylenedioxy-3-methyl-butanoate
Conditions | Yield |
---|---|
With (Bu4N)2S2O8 at 25℃; for 15h; Inert atmosphere; regioselective reaction; | 98% |
1,3-DIOXOLANE
dimethyl cis-but-2-ene-1,4-dioate
2-(1,3-dioxolan-2-yl)butanedioic acid 1,4-dimethyl ester
Conditions | Yield |
---|---|
With (Bu4N)2S2O8 at 25℃; for 1.5h; Inert atmosphere; regioselective reaction; | 98% |
With 1-hydroxy-pyrrolidine-2,5-dione; dimethylglyoxal at 20℃; for 3h; Irradiation; Sealed tube; Inert atmosphere; | 96% |
1,3-DIOXOLANE
1,4-dimethyl but-2-enedioate
2-(1,3-dioxolan-2-yl)butanedioic acid 1,4-dimethyl ester
Conditions | Yield |
---|---|
With (Bu4N)2S2O8 at 25℃; for 1.5h; Inert atmosphere; regioselective reaction; | 98% |
Conditions | Yield |
---|---|
nickel at 80 - 100℃; for 1h; | 97% |
zinc(II) chloride at 140℃; for 12h; | 62% |
With zinc(II) chloride at 140℃; Product distribution; Rate constant; |
Conditions | Yield |
---|---|
for 1h; Ambient temperature; | 97% |
Conditions | Yield |
---|---|
With (Bu4N)2S2O8 at 20 - 25℃; | 97% |
With (Bu4N)2S2O8 at 25℃; for 18h; Inert atmosphere; regioselective reaction; | 97% |
With (Bu4N)2S2O8 at 25℃; Yield given; |
1,3-DIOXOLANE
(S)-2-[(2,4,6-triisopropylphenyl)sulfinyl]-2-cyclopentenone
(2R,3R,RS)-3-(1,3-dioxolan-2-yl)-2-[(2,4,6-triisopropylphenyl)sulfinyl]-1-cyclopentanone
Conditions | Yield |
---|---|
With benzophenone for 0.166667h; Addition; Irradiation; | 97% |
1,3-DIOXOLANE
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); 2,3,3,4,4,5-hexamethyl-2-hexanethiol at 80℃; for 10h; Sealed tube; Molecular sieve; | 97% |
Conditions | Yield |
---|---|
With fac-tris[2-phenylpyridinato-C2,N]iridium(III); (Bu4N)2S2O8 at 30℃; for 24h; Reagent/catalyst; Inert atmosphere; Sealed tube; Irradiation; | 97% |
Conditions | Yield |
---|---|
With hydrogenchloride at 90℃; for 8h; | 96% |
1,3-DIOXOLANE
(5S)-5-(tert-butyldiphenylsiloxymethyl)-2(5H)-furanone
Conditions | Yield |
---|---|
With (Bu4N)2S2O8 | 96% |
With (Bu4N)2S2O8 at 30℃; for 0.25h; | 96% |
1,3-DIOXOLANE
2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-one
Conditions | Yield |
---|---|
With benzophenone for 0.166667h; Addition; Irradiation; | 96% |
1,3-DIOXOLANE
dichloro-(2-chloromethoxy-ethoxy)-borane
bis(chloromethoxyethoxy)chloroborane
Conditions | Yield |
---|---|
96% |
1,3-DIOXOLANE
C17H13ClN2O2
6-chloro-1-[(2'-hydroxyethoxy)methyl]-N-[(phenyl)methyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide
Conditions | Yield |
---|---|
Stage #1: C17H13ClN2O2 With chloro-trimethyl-silane; N,O-Bis(trimethylsilyl)trifluoroacetamide In acetonitrile for 4h; Inert atmosphere; Reflux; Stage #2: 1,3-DIOXOLANE With chloro-trimethyl-silane; potassium iodide In acetonitrile at 20℃; for 24h; Stage #3: With water; sodium hydrogencarbonate In acetonitrile | 96% |
Conditions | Yield |
---|---|
Stage #1: 1,3-DIOXOLANE; glyoxylic acid ethyl ester; aniline In toluene at 20℃; for 1h; Sealed tube; Molecular sieve; Stage #2: With 2,2'-azobis(isobutyronitrile); 2,3,3,4,4,5-hexamethyl-2-hexanethiol In toluene at 80℃; for 12h; Sealed tube; Molecular sieve; regioselective reaction; | 96% |
Conditions | Yield |
---|---|
Stage #1: 1,3-DIOXOLANE; glyoxylic acid ethyl ester; 4-methoxy-aniline In toluene at 20℃; for 1h; Sealed tube; Molecular sieve; Stage #2: With 2,2'-azobis(isobutyronitrile); 2,3,3,4,4,5-hexamethyl-2-hexanethiol In toluene at 80℃; for 12h; Sealed tube; Molecular sieve; | 96% |
Conditions | Yield |
---|---|
With 1-hydroxy-pyrrolidine-2,5-dione; dimethylglyoxal at 20℃; Molecular sieve; Irradiation; Inert atmosphere; | 96% |
Conditions | Yield |
---|---|
With Bromoform; (RCO2)2 at 20 - 60℃; for 3h; Irradiation; | 95% |
With 1,4-Dioxane Dibromide In tetrachloromethane at 29.9℃; Rate constant; Thermodynamic data; Mechanism; ΔH(excit.), ΔS(excit.), ΔG(excit.), lg A; further temp., kinetics; |
1,3-DIOXOLANE
1-(4-ethylphenyl)-1-propanone
piperidine hydrochloride
eperisone hydrochloride
Conditions | Yield |
---|---|
With hydrogenchloride at 90℃; for 6.5h; | 95% |
The 1,3-Dioxolane, with the cas registry number 646-06-0, is a kind of clear colourless liquid. This is completely soluble in water and soluble in alcohol, ether, and benzene. And it could be easily ignited by heat, sparks or flames, and the vapor may form explosive mixtures with air. In addition, its product categories are various, including Dioxanes & Dioxolanes; Dioxolanes; Intermediates & Fine Chemicals; Pharmaceuticals.It is highly flammable. When exposed to air 1,3-Dioxolane undergoes autooxidation with formation of peroxides. In the distillation process peroxides will concentrate causing violent explosion. Soluble in water.
Properties of 1,3-Dioxolane:
The characteristics of this chemical are as follows: (1)ACD/LogP: -0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.73; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.61; (8)ACD/KOC (pH 7.4): 9.61; (9)#H bond acceptors: 2; (10)Polar Surface Area: 18.46; (11)Index of Refraction: 1.396; (12)Molar Refractivity: 17.04 cm3; (13)Molar Volume: 70.8 cm3; (14)Polarizability: 6.75 ×10-24 cm3; (15)Surface Tension: 32.7 dyne/cm; (16)Density: 1.046 g/cm3; (17)Flash Point: 1.7 °C; (18)Enthalpy of Vaporization: 30.36 kJ/mol; (19)Boiling Point: 75.6 °C at 760 mmHg; (20)Vapour Pressure: 115 mmHg at 25°C; (21)Exact Mass: 74.036779; (22)MonoIsotopic Mass: 74.036779; (23)Topological Polar Surface Area: 18.5; (24)Heavy Atom Count: 5; (25)Formal Charge: 0; (26)Complexity: 24.1.
Structure Descriptors of 1,3-Dioxolane:
(1)Canonical SMILES: C1COCO1
(2)InChI: InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2
(3)InChIKey: WNXJIVFYUVYPPR-UHFFFAOYSA-N
Toxicity of 1,3-Dioxolane is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 10500mg/m3/2H (10500mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 70, 1982. | |
mouse | LD50 | oral | 3200mg/kg (3200mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 70, 1982. | |
rabbit | LCLo | inhalation | 32000ppm/4H (32000ppm) | Union Carbide Data Sheet. Vol. 12/17/1971, | |
rabbit | LD50 | oral | 5200mg/kg (5200mg/kg) | National Technical Information Service. Vol. OTS0537791, | |
rabbit | LD50 | skin | 8480uL/kg (8.48mL/kg) | Union Carbide Data Sheet. Vol. 12/17/1971, | |
rat | LC50 | inhalation | 20650mg/m3/4H (20650mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 70, 1982. | |
rat | LD50 | oral | 3gm/kg (3000mg/kg) | Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949. | |
rat | LD50 | skin | 15gm/kg (15000mg/kg) | National Technical Information Service. Vol. OTS0537791, | |
rat | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED | Journal of Pharmacy and Pharmacology. Vol. 11, Pg. 150, 1959. |
Preparation of 1,3-Dioxolane
The first way: have the reaction of paraformaldehyde and ethylene glycol. The second way: paraformaldehyde could react with ethylene glycol with the existence of concentrated sulfuric acid, and then go through salting out with sodium chloride, soild sodium hydroxide and drying, and then rectifying to get this chemical.
Use of 1,3-Dioxolane
The production methods of 1,3-Dioxolane are as below: As to its usage, it is widely applied in many ways. It could be used as the solvent and extractant for oil and axunge, and as the silk finishing agent or sealing rubber; It could also be used as the galvanolysis solvent of lithium battery, stabilizing agent, and the intermediate for Acyclovir-d4.
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View