ChemicalBook--->CAS DataBase List--->3041-16-5

3041-16-5

3041-16-5 Structure

3041-16-5 Structure
IdentificationBack Directory
[Name]

1,4-Dioxan-2-one
[CAS]

3041-16-5
[Synonyms]

4-dioxanone
p-dioxanone
2-p-Dioxanone
para-Dioxanone
p-Dioxan-2-one
4-Dioxan-2-one
1,4-Dioxan-2-One
2-Oxo-1,4-dioxane
PARA-DIOXANE-2-ONE
1,4-Dioxan-2-one >
p-dioxanone 1,4-dioxan-2-one
[EINECS(EC#)]

608-477-2
[Molecular Formula]

C4H6O3
[MDL Number]

MFCD00215855
[MOL File]

3041-16-5.mol
[Molecular Weight]

102.09
Chemical PropertiesBack Directory
[Melting point ]

28°C(lit.)
[Boiling point ]

215°C(lit.)
[density ]

1.1717 (rough estimate)
[vapor pressure ]

11-19Pa at 20-25℃
[refractive index ]

1.4540 (estimate)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Acetonitrile (Slightly), Chloroform (Sparingly), Ethyl Acetate (Slightly)
[form ]

Solid
[color ]

White to Off-White Semi-Solid to Low-Melting Waxy
[InChI]

InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2
[InChIKey]

VPVXHAANQNHFSF-UHFFFAOYSA-N
[SMILES]

O1CCOCC1=O
[LogP]

0.3 at pH7
[CAS DataBase Reference]

3041-16-5
Safety DataBack Directory
[RIDADR ]

1993
[RTECS ]

JH2290000
[HS Code ]

2932.20.5050
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

Hazard InformationBack Directory
[Uses]

1,4-Dioxan-2-one is used in the synthesis of novel copolymers and tri-block polymers.
[Synthesis]

1,4-Dioxane

123-91-1

1,4-Dioxan-2-ol

22347-47-3

1,4-Dioxan-2-one

3041-16-5

General procedure: In a standard experiment, 10 mmol of 1,4-dioxane with 150 mg of catalyst was placed in a 25 mL two-necked round-bottomed flask equipped with a reflux condenser. The reaction mixture was heated to 80 °C under mild stirring conditions. The O2 gas flow rate was adjusted by a mass flow controller at atmospheric pressure so that it was drummed into the reaction mixture from the balloon at a constant rate. Particular attention is paid to the fact that 1,4-dioxane vapors may form highly flammable mixtures and explosive peroxides with pure oxygen during the heating process (refer to MSDS for 1,4-dioxane). After 24 hours of reaction, the catalyst is separated from the reaction mixture by simple filtration. The reaction mixture was analyzed by GC-MS after appropriate dilution with methanol.

[References]

[1] Russian Chemical Bulletin, 2005, vol. 54, # 10, p. 2384 - 2393
[2] Catalysis Communications, 2017, vol. 90, p. 56 - 59
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