CAS No.3041-16-5,1,4-Dioxan-2-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3041-16-5
Name:	1,4-Dioxan-2-one
Article Data:	39

Formula:	C₄H₆O₃
Molecular Weight:	102.09
Synonyms:	Aceticacid, (2-hydroxyethoxy)-, d-lactone (6CI,7CI);p-Dioxan-2-one (8CI);2-Oxo-1,4-dioxane;2-p-Dioxanone;Dioxanone;NSC 60534;p-Dioxanone;
EINECS:	608-477-2
Density:	1.2 g/cm³
Melting Point:	28°C(lit.)
Boiling Point:	222.9 °C at 760 mmHg
Flash Point:	85.5 °C
Appearance:	Colorless transparent liquid
PSA:	35.53000
LogP:	-0.44020

Synthetic route

: 111-46-6
diethylene glycol

: 3041-16-5
p-dioxanone

Conditions

Conditions	Yield
With pyridine; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid In acetonitrile Inert atmosphere;	100%
In water at 180℃; under 3750.38 Torr; for 4h; Catalytic behavior;	100%
With 1-methyl-1H-imidazole; [2,2]bipyridinyl; tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate; 9-azabicyclo<3.3.1>nonane-N-oxyl In acetonitrile at 22℃; for 2h; Reagent/catalyst;	98%

: 111-46-6
diethylene glycol

A: 22347-47-3
1,4-dioxane-2-ol

B: 3041-16-5
p-dioxanone

Conditions

Conditions	Yield
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; nitromethane; oxygen; 1,10-ethyleneisoalloxazinium chloride at 40℃; for 24h;	A 6 %Spectr. B 90%
With 1-methyl-1H-imidazole; [2,2]bipyridinyl; tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate; 9-azabicyclo<3.3.1>nonane-N-oxyl In acetonitrile at 22℃; for 2h; Reagent/catalyst;	A 38% B 87%
With 1-methyl-1H-imidazole; [2,2]bipyridinyl; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate In acetonitrile at 22℃; for 2h; Reagent/catalyst;	A 45% B 45%
With 1-methyl-1H-imidazole; [2,2]bipyridinyl; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate In acetonitrile at 22℃; for 12h; Temperature; Reagent/catalyst;	A 44% B 34%
With 0.5C32H30N4O4Pd2(4+)*2CF3O3S(1-); oxygen In acetonitrile at 60℃; under 760.051 Torr; for 26h; Reagent/catalyst; Temperature;

: 16024-56-9
2-(2-methoxyethoxy)acetic acid

: 3041-16-5
p-dioxanone

Conditions

Conditions	Yield
With hydrogen bromide In water at 0℃; pH=3; Reflux;	60%
With hydrogen bromide at 150℃;

: 123-91-1
1,4-dioxane

: 3041-16-5
p-dioxanone

Conditions

Conditions	Yield
With chromium(VI) oxide; Salpetersaeuretrimethylsilylester In acetonitrile for 24h; Ambient temperature;	52%
With TS-1 (titanium silicate); dihydrogen peroxide	5%
With hydrogenchloride; sodium hypochlorite

: 56127-61-8
2-acetoxy-3-chloro-[1,4]dioxane

A: 3041-16-5
p-dioxanone

B: 75-36-5
acetyl chloride

Conditions

Conditions	Yield
at 190℃;

: 95-59-0, 3883-42-9, 3883-43-0
trans-2,3-dichloro-1,4-dioxane

: 3041-16-5
p-dioxanone

Conditions

Conditions	Yield
With formic acid at 200℃;

: 14869-41-1
(2-chloroethoxy)-acetic acid

: 3041-16-5
p-dioxanone

Conditions

Conditions	Yield
With sodium hydroxide unter vermindertem Druck;

: C11H11N2O4

A: 50-00-0
formaldehyd

B: 628-35-3
ethylene glycol monoformate

C: 629-15-2
ethylene glycol diformate

D: 31125-07-2
4-cyanonitrosobenzene

E: 22347-47-3
1,4-dioxane-2-ol

F: 3041-16-5
p-dioxanone

Conditions

Conditions	Yield
With dinitrogen monoxide In water Mechanism; Product distribution; Rate constant; Ambient temperature; Irradiation; other ethers;

...Expand

: 111-46-6
diethylene glycol

A: 497-26-7
2-methyl-1,3-dioxolane

B: 123-91-1
1,4-dioxane

C: 543-75-9
1,4-dioxene

D: 3041-16-5
p-dioxanone

Conditions

Conditions	Yield
With zeolite NaY; copper at 280℃; further catalysts and conditions; Yield given;
With zeolite NaY; copper at 280℃; Product distribution; effect of support on selectivity of dioxene formation; further catalysts and conditions;

...Expand

<β-oxy-ethoxy>-acetic acid: <β-oxy-ethoxy>-acetic acid

: 3041-16-5
p-dioxanone

Conditions

Conditions	Yield
Bei der Destillation;

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Specification

The p-Dioxan-2-one, with the CAS registry number 3041-16-5, is also known as Acetic acid, (2-hydroxyethoxy)-, gamma-lactone (6CI,7CI). This chemical's molecular formula is C₄H₆O₃ and molecular weight is 102.08864. Its IUPAC name is called 1,4-dioxan-2-one.

Physical properties of p-Dioxan-2-one: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 3.628; (4)ACD/KOC (pH 7.4): 3.628; (5)#H bond acceptors: 3; (6)Index of Refraction: 1.426; (7)Molar Refractivity: 21.788 cm³; (8)Molar Volume: 85.039 cm³; (9)Surface Tension: 34.701 dyne/cm; (10)Density: 1.201 g/cm³; (11)Flash Point: 85.464 °C; (12)Enthalpy of Vaporization: 45.937 kJ/mol; (13)Boiling Point: 222.895 °C at 760 mmHg; (14)Vapour Pressure: 0.099 mmHg at 25°C.

Preparation of p-Dioxan-2-one: this chemical can be prepared by [1,4]dioxane. This reaction will need reagents NaOCl and aq. HCl.

p-Dioxan-2-one can be prepared by [1,4]dioxane

Uses of p-Dioxan-2-one: it can be used to produce 2-(2-hydroxy-ethoxy)-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-acetamide. The yield is about 84%.

p-Dioxan-2-one can be used to produce 2-(2-hydroxy-ethoxy)-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-acetamide

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC(=O)CO1
(2)InChI: InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2
(3)InChIKey: VPVXHAANQNHFSF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 500mg/kg (500mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 213, 1954.
rat	LD50	intraperitoneal	790mg/kg (790mg/kg)		Cancer Research. Vol. 38, Pg. 1621, 1978.