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CAS No.: | 22929-52-8 |
---|---|
Name: | Dihydrofuran-3(2H)-one |
Article Data: | 39 |
Molecular Structure: | |
Formula: | C4H6O2 |
Molecular Weight: | 86.0904 |
Synonyms: | 3-Oxotetrahydrofuran;Dihydro-3(2H)-furanone;Dihydrofuran-3-one;Oxolan-3-one; |
EINECS: | 805-925-0 |
Density: | 1.128 g/cm3 |
Boiling Point: | 151.1 °C at 760 mmHg |
Flash Point: | 56.3 °C |
Appearance: | WHITE |
Hazard Symbols: | Xn |
Risk Codes: | 11-19-36/37/38-22 |
Safety: | 16-26-36/37/39-23 |
PSA: | 26.30000 |
LogP: | -0.02420 |
3-Hydroxytetrahydrofuran
tetrahydrofuran-3-one
Conditions | Yield |
---|---|
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid In dichloromethane at -5 - 20℃; for 1h; Solvent; | 95% |
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid In dichloromethane at -5 - 20℃; for 1h; Solvent; | 95% |
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid In dichloromethane at -5 - 20℃; for 1h; Solvent; | 95% |
methyl 4-oxotetrahydrofuran-3-carboxylate
tetrahydrofuran-3-one
Conditions | Yield |
---|---|
With sulfuric acid at 100℃; for 3h; Reagent/catalyst; Temperature; | 90.7% |
In sulfuric acid | 6.8 g (79%) |
ethyl tetrahydrofuran-3-one 4-carboxylate
tetrahydrofuran-3-one
Conditions | Yield |
---|---|
With sulfuric acid at 80℃; for 5h; Reagent/catalyst; | 82.3% |
2,3-dihydro-2H-furan
A
tetrahydrofuran-3-one
RS(SR)-2,3-dibromotetrahydrofuran
Conditions | Yield |
---|---|
With water; oxygen; lithium bromide; copper(ll) bromide In tetrahydrofuran at 25℃; under 760.051 Torr; | A 15% B 75% C 10% |
3-hydroxyfuran
tetrahydrofuran-3-one
Conditions | Yield |
---|---|
Stage #1: 3-hydroxyfuran With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium bromide In dichloromethane; water ice-water bath; Stage #2: With sodium hypochlorite; sodium hydrogencarbonate In dichloromethane; water at 0 - 5℃; for 2.66667h; | 67% |
With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; potassium bromide In dichloromethane at 0 - 5℃; for 2.66667h; pH=9.5; | 67% |
With sodium hypochlorite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; potassium bromide In dichloromethane; water at 0 - 5℃; for 2.66667h; pH=9.5; | 67% |
tetrahydrofuran-3-one
Conditions | Yield |
---|---|
With copper oxide-chromium oxide catalyst at 200 - 250℃; | |
With sodium dichromate; diethyl ether; sulfuric acid |
2,3-dihydro-2H-furan
A
tetrahydrofuran-3-one
B
(2S,3S)-3-chlorotetrahydrofuran-2-ol
Conditions | Yield |
---|---|
With (R)-2,2'-bis[bis(3-methylphenyl)phosphino]-1,1'-binaphthyl; copper dichloride; palladium (II) ion Title compound not separated from byproducts; |
2,5-dihydrofuran
tetrahydrofuran-3-one
Conditions | Yield |
---|---|
With dinitrogen monoxide In benzene at 220℃; for 12h; pressure; |
1-butyn-4-ol
tetrahydrofuran-3-one
Conditions | Yield |
---|---|
With 5-bromo-2-methyl-pyridine-N-oxide; [BrettPhosAu]NTf2; trifluoroacetic acid In 1,2-dichloro-ethane at 20℃; for 6h; Inert atmosphere; Darkness; | 42 %Spectr. |
tetrahydrofuran-3-one
4-methoxybenzenesulfonyl hydrazide
N'-(dihydrofuran-3(2H)-ylidene)-4-methoxybenzene-sulfonohydrazide
Conditions | Yield |
---|---|
In methanol at 20℃; Schlenk technique; | 100% |
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The Dihydrofuran-3(2H)-one, with CAS registry number 22929-52-8, belongs to the following product categories: (1)Carbonyl Compounds; (2)Heterocycles. It has the systematic name of dihydrofuran-3(2H)-one. And its IUPAC name is oxolan-3-one. And the chemical formula of this chemical is C4H6O2.
Physical properties of Dihydrofuran-3(2H)-one: (1)ACD/LogP: -1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): -1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.68; (8)ACD/KOC (pH 7.4): 5.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 20.18 cm3; (15)Molar Volume: 76.2 cm3; (16)Polarizability: 8×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Enthalpy of Vaporization: 38.8 kJ/mol; (19)Vapour Pressure: 3.72 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Dihydrofuran-3(2H)-one is highly flammable, so keep it away from sources of ignition. This chemical may form explosive peroxides. And it is also harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection and do not breathe vapour. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1COCC1
(2)InChI: InChI=1/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
(3)InChIKey: JLPJFSCQKHRSQR-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
(5)Std. InChIKey: JLPJFSCQKHRSQR-UHFFFAOYSA-N