Product Name

  • Name

    1,4-Dioxan-2-one

  • EINECS 608-477-2
  • CAS No. 3041-16-5
  • Article Data39
  • CAS DataBase
  • Density 1.2 g/cm3
  • Solubility
  • Melting Point 28°C(lit.)
  • Formula C4H6O3
  • Boiling Point 222.9 °C at 760 mmHg
  • Molecular Weight 102.09
  • Flash Point 85.5 °C
  • Transport Information
  • Appearance Colorless transparent liquid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 3041-16-5 (1,4-Dioxan-2-one)
  • Hazard Symbols
  • 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;
  • PSA 35.53000
  • LogP -0.44020

Synthetic route

diethylene glycol
111-46-6

diethylene glycol

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
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%
diethylene glycol
111-46-6

diethylene glycol

A

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

1,4-dioxane-2-ol

B

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
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;
2-(2-methoxyethoxy)acetic acid
16024-56-9

2-(2-methoxyethoxy)acetic acid

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
With hydrogen bromide In water at 0℃; pH=3; Reflux;60%
With hydrogen bromide at 150℃;
1,4-dioxane
123-91-1

1,4-dioxane

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
With chromium(VI) oxide; Salpetersaeuretrimethylsilylester In acetonitrile for 24h; Ambient temperature;52%
With TS-1 (titanium silicate); dihydrogen peroxide5%
With hydrogenchloride; sodium hypochlorite
2-acetoxy-3-chloro-[1,4]dioxane
56127-61-8

2-acetoxy-3-chloro-[1,4]dioxane

A

p-dioxanone
3041-16-5

p-dioxanone

B

acetyl chloride
75-36-5

acetyl chloride

Conditions
ConditionsYield
at 190℃;
trans-2,3-dichloro-1,4-dioxane
95-59-0, 3883-42-9, 3883-43-0

trans-2,3-dichloro-1,4-dioxane

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
With formic acid at 200℃;
(2-chloroethoxy)-acetic acid
14869-41-1

(2-chloroethoxy)-acetic acid

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
With sodium hydroxide unter vermindertem Druck;
C11H11N2O4

C11H11N2O4

A

formaldehyd
50-00-0

formaldehyd

B

ethylene glycol monoformate
628-35-3

ethylene glycol monoformate

C

ethylene glycol diformate
629-15-2

ethylene glycol diformate

D

4-cyanonitrosobenzene
31125-07-2

4-cyanonitrosobenzene

E

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

1,4-dioxane-2-ol

F

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
With dinitrogen monoxide In water Mechanism; Product distribution; Rate constant; Ambient temperature; Irradiation; other ethers;
...Expand
diethylene glycol
111-46-6

diethylene glycol

A

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

2-methyl-1,3-dioxolane

B

1,4-dioxane
123-91-1

1,4-dioxane

C

1,4-dioxene
543-75-9

1,4-dioxene

D

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
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

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
Bei der Destillation;
chloroacetic acid ethyl ester
105-39-5

chloroacetic acid ethyl ester

monosodium-compound of ethylene glycol

monosodium-compound of ethylene glycol

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
With ethylene glycol Erhitzen des Reaktionsprodukts mit wss. Salzsaeure;
chloroacetic acid ethyl ester
105-39-5

chloroacetic acid ethyl ester

monosodium-compound of glycol

monosodium-compound of glycol

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
With benzene
trans-2,3-dichloro-1,4-dioxane
95-59-0, 3883-42-9, 3883-43-0

trans-2,3-dichloro-1,4-dioxane

water containing formic acid

water containing formic acid

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
at 200℃;
1,4-dioxane
123-91-1

1,4-dioxane

A

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

1,4-dioxane-2-ol

B

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
With 3,3-dimethyldioxirane In acetone at 25℃; Kinetics;A 11 % Chromat.
B 44 % Chromat.
With oxygen at 80℃; for 24h; Catalytic behavior; Reagent/catalyst; Temperature; Time;A 90 %Chromat.
B 7 %Chromat.
2-(2-hydroxyethoxy)acetic acid
13382-47-3

2-(2-hydroxyethoxy)acetic acid

p-dioxanone
3041-16-5

p-dioxanone

Conditions
ConditionsYield
With hydrogen bromide; sodium hydrogencarbonate at 20℃; pH=3;104 g
ethanol
64-17-5

ethanol

p-dioxanone
3041-16-5

p-dioxanone

(2-chloro-ethoxy)-acetic acid ethyl ester
17229-14-0

(2-chloro-ethoxy)-acetic acid ethyl ester

Conditions
ConditionsYield
With thionyl chloride100%
p-dioxanone
3041-16-5

p-dioxanone

aniline
62-53-3

aniline

2-(2-hydroxyethoxy)-N-phenylacetamide

2-(2-hydroxyethoxy)-N-phenylacetamide

Conditions
ConditionsYield
With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine In neat (no solvent) at 40℃; for 24h;98%
p-dioxanone
3041-16-5

p-dioxanone

dimethyl amine
124-40-3

dimethyl amine

2-hydroxyethoxy-acetic acid-N,N-dimethylamide
939969-03-6

2-hydroxyethoxy-acetic acid-N,N-dimethylamide

Conditions
ConditionsYield
In 1,4-dioxane at 5 - 20℃; for 2.08333h; Product distribution / selectivity;95.9%
In acetonitrile at 5 - 20℃; for 2.08333h; Product distribution / selectivity;61.4%
In tetrahydrofuran at 5 - 20℃; for 2.08333h; Product distribution / selectivity;59.8%
In ethanol at 5 - 20℃; for 2.08333h; Product distribution / selectivity;50.4%
In toluene at 5 - 20℃; for 2.08333h; Product distribution / selectivity;40.6%
p-dioxanone
3041-16-5

p-dioxanone

ethyl acetate
141-78-6

ethyl acetate

ethyl 4-(2-hydroxyethoxy)-3-oxobutanoate
251324-96-6

ethyl 4-(2-hydroxyethoxy)-3-oxobutanoate

Conditions
ConditionsYield
With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 3h;92%
sulfuric acid
7664-93-9

sulfuric acid

p-dioxanone
3041-16-5

p-dioxanone

(2-Bromo-ethoxy)-acetic acid
1135131-50-8

(2-Bromo-ethoxy)-acetic acid

Conditions
ConditionsYield
With hydrogen bromide In (2S)-N-methyl-1-phenylpropan-2-amine hydrate90%
2,3-Diaminopyridine
452-58-4

2,3-Diaminopyridine

p-dioxanone
3041-16-5

p-dioxanone

2-(2-hydroxyethoxymethyl)-pyrido[2,3-d]-1H-imidazole
307931-37-9

2-(2-hydroxyethoxymethyl)-pyrido[2,3-d]-1H-imidazole

Conditions
ConditionsYield
In 1,3,5-trimethyl-benzene for 10h; Heating / reflux;87%
N-<3-<3-(1-piperidinylmethyl)phenoxy>propyl>amine
73278-98-5

N-<3-<3-(1-piperidinylmethyl)phenoxy>propyl>amine

p-dioxanone
3041-16-5

p-dioxanone

2-(2-Hydroxy-ethoxy)-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-acetamide
132767-66-9

2-(2-Hydroxy-ethoxy)-N-[3-(3-piperidin-1-ylmethyl-phenoxy)-propyl]-acetamide

Conditions
ConditionsYield
84%
p-dioxanone
3041-16-5

p-dioxanone

1,2-diamino-benzene
95-54-5

1,2-diamino-benzene

2-(2-hydroxyethoxymethyl)-1H-benzimidazole
307931-39-1

2-(2-hydroxyethoxymethyl)-1H-benzimidazole

Conditions
ConditionsYield
In 1,3,5-trimethyl-benzene for 10h; Heating / reflux;77%
p-dioxanone
3041-16-5

p-dioxanone

2,2'-oxybis-acetic acid
110-99-6

2,2'-oxybis-acetic acid

Conditions
ConditionsYield
With dinitrogen tetraoxide In chloroform75%
p-dioxanone
3041-16-5

p-dioxanone

ethylene glycol
107-21-1

ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 2300 g/mol (GPC), Mn = 2500 g/mol (NMR), Mn = 1600 g/mol (VPO), Mw/Mn = 1.50; monomer(s): p-dioxanone; ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 2300 g/mol (GPC), Mn = 2500 g/mol (NMR), Mn = 1600 g/mol (VPO), Mw/Mn = 1.50; monomer(s): p-dioxanone; ethylene glycol

Conditions
ConditionsYield
at 110℃; for 48h;75%
p-dioxanone
3041-16-5

p-dioxanone

benzylamine
100-46-9

benzylamine

N-benzyl-2-(2-hydroxyethoxy)acetamide

N-benzyl-2-(2-hydroxyethoxy)acetamide

Conditions
ConditionsYield
With dibutyltin diacetate In tetrahydrofuran at 65℃; for 4h;73%
p-dioxanone
3041-16-5

p-dioxanone

ethylene glycol
107-21-1

ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator and dibutyltin oxide as catalyst, Mn = 2100 g/mol (GPC); monomer(s): p-dioxanone; ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator and dibutyltin oxide as catalyst, Mn = 2100 g/mol (GPC); monomer(s): p-dioxanone; ethylene glycol

Conditions
ConditionsYield
di(n-butyl)tin oxide at 110℃; for 3h;70%
p-dioxanone
3041-16-5

p-dioxanone

ethylene glycol
107-21-1

ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator and dibutyltin oxide as catalyst, Mn = 2200 g/mol (GPC); monomer(s): p-dioxanone; ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator and dibutyltin oxide as catalyst, Mn = 2200 g/mol (GPC); monomer(s): p-dioxanone; ethylene glycol

Conditions
ConditionsYield
at 110℃; for 48h;70%
p-dioxanone
3041-16-5

p-dioxanone

ethylene glycol
107-21-1

ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 1800 g/mol (GPC), Mn = 2100 g/mol (NMR), Mn = 1400 g/mol (VPO), Mw/Mn = 1.55; monomer(s): p-dioxanone; ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 1800 g/mol (GPC), Mn = 2100 g/mol (NMR), Mn = 1400 g/mol (VPO), Mw/Mn = 1.55; monomer(s): p-dioxanone; ethylene glycol

Conditions
ConditionsYield
at 110℃; for 48h;70%
p-dioxanone
3041-16-5

p-dioxanone

ethylene glycol
107-21-1

ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 2300 g/mol (GPC), Mn = 2700 g/mol (NMR), Mn = 1900 g/mol (VPO), Mw/Mn = 1.62; monomer(s): p-dioxanone; ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 2300 g/mol (GPC), Mn = 2700 g/mol (NMR), Mn = 1900 g/mol (VPO), Mw/Mn = 1.62; monomer(s): p-dioxanone; ethylene glycol

Conditions
ConditionsYield
di(n-butyl)tin oxide at 110℃; for 3h;70%
p-dioxanone
3041-16-5

p-dioxanone

ethylene glycol
107-21-1

ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 2600 g/mol (GPC), Mn = 3000 g/mol (NMR), Mn = 1900 g/mol (VPO), Mw/Mn = 1.50; monomer(s): p-dioxanone; ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 2600 g/mol (GPC), Mn = 3000 g/mol (NMR), Mn = 1900 g/mol (VPO), Mw/Mn = 1.50; monomer(s): p-dioxanone; ethylene glycol

Conditions
ConditionsYield
at 110℃; for 48h;70%
p-dioxanone
3041-16-5

p-dioxanone

ethylene glycol
107-21-1

ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 2931 g/mol (GPC), Mn = 3000 g/mol (NMR), Mn = 2100 g/mol (VPO), Mw/Mn = 1.52; monomer(s): p-dioxanone; ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 2931 g/mol (GPC), Mn = 3000 g/mol (NMR), Mn = 2100 g/mol (VPO), Mw/Mn = 1.52; monomer(s): p-dioxanone; ethylene glycol

Conditions
ConditionsYield
di(n-butyl)tin oxide at 110℃; for 3h;70%
p-dioxanone
3041-16-5

p-dioxanone

sodium 2-(2-hydroxyethoxy)acetate
142047-97-0

sodium 2-(2-hydroxyethoxy)acetate

Conditions
ConditionsYield
With water; sodium hydroxide Reflux;66%
p-dioxanone
3041-16-5

p-dioxanone

ethylene glycol
107-21-1

ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 1900 g/mol (GPC), Mn = 2300 g/mol (NMR), Mn = 1600 g/mol (VPO), Mw/Mn = 1.73; monomer(s): p-dioxanone; ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 1900 g/mol (GPC), Mn = 2300 g/mol (NMR), Mn = 1600 g/mol (VPO), Mw/Mn = 1.73; monomer(s): p-dioxanone; ethylene glycol

Conditions
ConditionsYield
di(n-butyl)tin oxide at 110℃; for 3h;65%
p-dioxanone
3041-16-5

p-dioxanone

ethylene glycol
107-21-1

ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 4200 g/mol (GPC), Mn = 3000 g/mol (NMR), Mn = 3100 g/mol (VPO), Mw/Mn = 1.24; monomer(s): p-dioxanone; ethylene glycol

α,ω-dihydroxy oligo(p-dioxanone), prepared by ring-opening polymerization with ethylene glycol as initiator, Mn = 4200 g/mol (GPC), Mn = 3000 g/mol (NMR), Mn = 3100 g/mol (VPO), Mw/Mn = 1.24; monomer(s): p-dioxanone; ethylene glycol

Conditions
ConditionsYield
at 110℃; for 48h;63%
bromoethyl-2-benzyl ether
1462-37-9

bromoethyl-2-benzyl ether

p-dioxanone
3041-16-5

p-dioxanone

C13H16O4

C13H16O4

Conditions
ConditionsYield
Stage #1: p-dioxanone With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h; Inert atmosphere;
Stage #2: bromoethyl-2-benzyl ether In N,N-dimethyl-formamide at 70℃; for 12h; Inert atmosphere;		23%
p-dioxanone
3041-16-5

p-dioxanone

phenylmagnesium bromide

phenylmagnesium bromide

2-(2-hydroxy-ethoxy)-1,1-diphenyl-ethanol
23219-05-8

2-(2-hydroxy-ethoxy)-1,1-diphenyl-ethanol

p-dioxanone
3041-16-5

p-dioxanone

(4-chlorphenyl)magnesium bromide
873-77-8

(4-chlorphenyl)magnesium bromide

1,1-bis-(4-chloro-phenyl)-2-(2-hydroxy-ethoxy)-ethanol
101168-13-2

1,1-bis-(4-chloro-phenyl)-2-(2-hydroxy-ethoxy)-ethanol

1,4-Dioxan-2-one 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.

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View