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CAS No.: | 931-40-8 |
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Name: | 4-HYDROXYMETHYL-1,3-DIOXOLAN-2-ONE |
Article Data: | 178 |
Molecular Structure: | |
Formula: | C4H6O4 |
Molecular Weight: | 118.089 |
Synonyms: | Carbonicacid, (hydroxymethyl)ethylene ester (6CI);Carbonic acid, cyclic(hydroxymethyl)ethylene ester (7CI,8CI);(2-Oxo-1,3-dioxolan-4-yl)methanol;3-Hydroxypropylene carbonate;4-Hydroxymethyl-1,3-dioxolan-2-one;Glycerincarbonate;Glycerol 1,2-carbonate;Glycerol carbonate;Glycerol cyclic1,2-carbonate;Jeffsol GC;NSC 60535;Racemic glycerol 1,2-carbonate; |
EINECS: | 213-235-0 |
Density: | 1.375 g/cm3 |
Boiling Point: | 353.9 °C at 760 mmHg |
Flash Point: | 165.9 °C |
Solubility: | 1000g/L at 24℃ |
Safety: | 23 |
PSA: | 55.76000 |
LogP: | -0.48590 |
Conditions | Yield |
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With C25H13O12Si(5-)*3Ni(2+)*HO(1-); tetrabutylammomium bromide In neat (no solvent) at 99.84℃; under 7500.75 Torr; for 3h; Catalytic behavior; Autoclave; | 100% |
With tetrabutylammomium bromide In neat (no solvent) at 60℃; under 7500.75 Torr; for 3h; Catalytic behavior; Reagent/catalyst; Temperature; Autoclave; Green chemistry; | 99% |
With Cu7(H1L)2(TPT)3(H2O)6; tetrabutylammomium bromide at 100℃; under 760.051 Torr; for 3h; Catalytic behavior; Kinetics; Autoclave; | 99% |
Conditions | Yield |
---|---|
Candida antarctica lipase B In tert-butyl alcohol at 70℃; for 10 - 24h; Enzyme kinetics; Enzymatic reaction; Molecular sieve; | 100% |
With N-methyl-N'-n-butylimidazolium-2-carboxylate at 74℃; for 0.5h; Inert atmosphere; | 100% |
With Mg-Al hydrotalcite In N,N-dimethyl-formamide at 99.84℃; for 2h; Inert atmosphere; | 99% |
4-(((trimethylsilyl)oxy)methyl)-1,3-dioxolan-2-one
4-hydroxymethyl-1,3-dioxolan-2-one
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water at 20℃; for 2h; | 99.5% |
4-hydroxymethyl-1,3-dioxolan-2-one
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water at 20℃; for 2h; | 99.01% |
4-hydroxymethyl-1,3-dioxolan-2-one
Conditions | Yield |
---|---|
With water; dichloro bis(acetonitrile) palladium(II) In acetonitrile at 40℃; for 2h; | 99% |
Conditions | Yield |
---|---|
With water; dichloro bis(acetonitrile) palladium(II) at 40℃; for 2h; | A 99% B n/a |
Conditions | Yield |
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With N-methyl-N-tetradecylmorpholinium bromide; potassium iodide at 35℃; under 750.075 Torr; for 24h; Autoclave; | 96.1% |
Conditions | Yield |
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With bifunctional zinc-tin composite oxide at 155℃; for 4h; Reagent/catalyst; Temperature; Inert atmosphere; Green chemistry; | 95.6% |
With iron(II) bromide In 1,4-dioxane at 150℃; for 18h; Inert atmosphere; Sealed tube; | 95% |
With zeolite Zn-Y at 150℃; for 3h; Kinetics; Catalytic behavior; Reagent/catalyst; Temperature; Green chemistry; | 92.7% |
Conditions | Yield |
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Stage #1: carbon monoxide; glycerol With sulfur; triethylamine In N,N-dimethyl-formamide at 80℃; under 7500.75 Torr; for 5h; Inert atmosphere; Autoclave; Stage #2: With copper(ll) bromide In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 16h; | 94% |
With N-chloro-succinimide; (neocuproine)Pd(OAc)2; sodium acetate In acetonitrile at 55℃; under 760.051 Torr; for 24h; Molecular sieve; | 88% |
With oxygen; potassium iodide; palladium(II) iodide In N,N-dimethyl acetamide at 100℃; under 15201 Torr; for 15h; | 62% |
glycerol
carbonic acid dimethyl ester
A
methanol
B
4-hydroxymethyl-1,3-dioxolan-2-one
Conditions | Yield |
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With calcium oxide at 75℃; for 0.5h; Activation energy; Kinetics; Reagent/catalyst; Temperature; Concentration; Inert atmosphere; | A n/a B 94% |
With magnesium oxide at 90℃; for 0.5h; Overall yield = 16 %Chromat.; |
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The 1,3-Dioxolan-2-one,4-(hydroxymethyl)-, with the CAS registry number 931-40-8, is also known as AI3-22904. It belongs to the product categories of Dioxanes & Dioxolanes; Dioxolanes; Carbonates; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 213-235-0. This chemical's molecular formula is C4H6O4 and molecular weight is 118.09. Its IUPAC name is called 4-(hydroxymethyl)-1,3-dioxolan-2-one. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. When you are using this chemical, please be cautious about it. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). The product should be sealed away from strong oxides.
Physical properties of 1,3-Dioxolan-2-one,4-(hydroxymethyl)-: (1)ACD/LogP: -1.64; (2)ACD/LogD (pH 5.5): -1.64; (3)ACD/LogD (pH 7.4): -1.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.06; (7)ACD/KOC (pH 7.4): 3.06; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.457; (12)Molar Refractivity: 23.4 cm3; (13)Molar Volume: 85.8 cm3; (14)Surface Tension: 44.1 dyne/cm; (15)Density: 1.375 g/cm3; (16)Flash Point: 165.9 °C; (17)Enthalpy of Vaporization: 69.34 kJ/mol; (18)Boiling Point: 353.9 °C at 760 mmHg; (19)Vapour Pressure: 2E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(OC(=O)O1)CO
(2)InChI: InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2
(3)InChIKey: JFMGYULNQJPJCY-UHFFFAOYSA-N