Products Categories
| CAS No.: | 2453-03-4 |
|---|---|
| Name: | 1,3-Dioxan-2-one |
| Article Data: | 52 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C4H6O3 |
| Molecular Weight: | 102.09 |
| Synonyms: | 1,3-Propanediol, cyclic carbonate (8CI);1,3-Carbonyldioxypropane;1,3-Propylene carbonate;Carbonicacid, cyclic trimethylene ester (7CI,8CI);Carbonic acid, trimethylene ester(6CI);2-Oxo-1,3-dioxane;Cyclic trimethylene carbonate;Cyclo(trimethylene carbonate);Trimethylene carbonate;m-Dioxan-2-one; |
| EINECS: | 607-395-4 |
| Density: | 1.2 g/cm3 |
| Melting Point: | 45.0 to 49.0 °C |
| Boiling Point: | 255.2 °C at 760 mmHg |
| Flash Point: | 148.6 °C |
| Risk Codes: | 22-36 |
| Safety: | 24/25 |
| PSA: | 35.53000 |
| LogP: | 0.54330 |
- 24530-67-4Acetamide,N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]-
- 245349-46-6Benzoic acid,4-[3-[(1-oxo-2-propen-1-yl)oxy]propoxy]-
- 24539-58-01,2-Benzenedicarboxylicacid, 1-heptyl ester
- 24539-92-2Ethanone,1-(5-ethyl-2-hydroxyphenyl)-
- 24540-94-1Decane,1-isothiocyanato-
- 2454-35-5Ethanone,1-[3-(acetyloxy)phenyl]-
- 2454-37-7Benzenemethanol,3-amino-a-methyl-
- 245439-36-54-(3-BROMOPHENYL)TETRAHYDROPYRAN-4-CARBONITRILE
- 2454-39-9Benzenecarbothioamide,2-amino-
- 24544-04-52,6-Diisopropylaniline
| Conditions | Yield |
|---|---|
| With bis(acetylacetonate)oxovanadium; tetrabutylammomium bromide In toluene at 60℃; under 26252.6 Torr; for 8h; Autoclave; Cooling with ice; chemoselective reaction; | 100% |
| tetraphenyl stibonium iodide at 100℃; under 36775.4 Torr; for 4h; Product distribution; Var. catalysts, solvents, time and temp.; | 96% |
| tetraphenyl stibonium iodide at 100℃; under 36775.4 Torr; for 4h; Var. catalysts, solvents, time and temp.; | 96% |
| Conditions | Yield |
|---|---|
| With 3,7-di([1,1′-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 24h; Reagent/catalyst; Inert atmosphere; Irradiation; Sealed tube; | 99% |
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide at 40℃; under 760.051 Torr; for 15h; Reagent/catalyst; Temperature; Inert atmosphere; Glovebox; Green chemistry; | 95% |
| With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; caesium carbonate In N,N-dimethyl-formamide at 40℃; under 760.051 Torr; for 15h; Concentration; Temperature; Glovebox; Inert atmosphere; | 95 %Spectr. |
| With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 20℃; |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; C14H8O5(2-)*Co(2+)*0.5C24H30N4 at 20℃; under 11251.1 Torr; for 30h; High pressure; | 90% |
| Conditions | Yield |
|---|---|
| With ZnLa2O4 In neat liquid at 150℃; under 15.0015 Torr; Catalytic behavior; Reagent/catalyst; Time; | 80.5% |
| With 1-hexadecyl-3-methylimidazolium chloride; zinc(II) chloride In neat (no solvent) at 160℃; under 112.511 Torr; for 3h; Green chemistry; | 72.3% |
| With zinc(II) chloride In 1,1,2,2-tetrachloroethane at 146℃; for 24h; Temperature; Solvent; Inert atmosphere; | 12 %Chromat. |
| Conditions | Yield |
|---|---|
| With sodium butanolate Reagent/catalyst; | 80% |
| Conditions | Yield |
|---|---|
| With 2-Cyanopyridine; cerium(IV) oxide at 129.84℃; under 37503.8 Torr; for 12h; Autoclave; | 79% |
| With 2-Cyanopyridine; cerium(IV) oxide at 140℃; under 60006 Torr; for 1h; Autoclave; | |
| With 2-Cyanopyridine; cerium(IV) oxide at 140℃; under 60006 Torr; for 1h; Autoclave; |
| Conditions | Yield |
|---|---|
| With air; potassium iodide; palladium(II) iodide In ISOPROPYLAMIDE at 100℃; under 15201 Torr; for 15h; Autoclave; | 74% |
| With oxygen; potassium iodide; palladium(II) iodide In N,N-dimethyl acetamide at 100℃; under 15201 Torr; for 15h; | 74% |
| With (neocuproine)Pd(OAc)2; sode de l'acide trichloroisocyanurique In acetonitrile at 35℃; under 1794.37 Torr; for 18h; | 38% |
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran | 70% |
| Stage #1: chloroformic acid ethyl ester; trimethyleneglycol In tetrahydrofuran for 1h; Cooling with ice; Stage #2: With triethylamine In tetrahydrofuran at 20℃; for 2h; | 43% |
| With triethylamine In tetrahydrofuran at 0 - 20℃; for 2h; | 21% |
| Conditions | Yield |
|---|---|
| With sodium n-propoxide Reagent/catalyst; | 68% |
What can I do for you?
Get Best Price
Specification
The 1,3-Dioxan-2-one is an organic compound with the formula C4H6O3. The systematic name of this chemical is 1,3-dioxan-2-one. With the CAS registry number 2453-03-4, it is also named as Polytrimethylene carbonate.
Physical properties about 1,3-Dioxan-2-one are: (1)ACD/LogP: -0.51; (2)ACD/LogD (pH 5.5): -0.51; (3)ACD/LogD (pH 7.4): -0.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.59; (7)ACD/KOC (pH 7.4): 12.59; (8)#H bond acceptors: 3; (9)Polar Surface Area: 35.53 Å2; (10)Index of Refraction: 1.425; (11)Molar Refractivity: 21.78 cm3; (12)Molar Volume: 85 cm3; (13)Polarizability: 8.63×10-24cm3; (14)Surface Tension: 34.7 dyne/cm; (15)Density: 1.2 g/cm3; (16)Flash Point: 148.6 °C; (17)Enthalpy of Vaporization: 49.27 kJ/mol; (18)Boiling Point: 255.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0165 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCCO1
(2)InChI: InChI=1/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H2
(3)InChIKey: YFHICDDUDORKJB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H2
(5)Std. InChIKey: YFHICDDUDORKJB-UHFFFAOYSA-N