1,3-Dioxan-2-one supplier | CasNO.2453-03-4

Name
1,3-Dioxan-2-one
EINECS 607-395-4
CAS No. 2453-03-4
Article Data52
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point 45.0 to 49.0 °C
Formula C₄H₆O₃
Boiling Point 255.2 °C at 760 mmHg
Molecular Weight 102.09
Flash Point 148.6 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 22-36
Molecular Structure
Hazard Symbols
Synonyms 1,3-Propanediol, cyclic carbonate (8CI);1,3-Carbonyldioxypropane;1,3-Propylene carbonate;Carbonicacid, cyclic trimethylene ester (7CI,8CI);Carbonic acid, trimethylene ester(6CI);2-Oxo-1,3-dioxane;Cyclic trimethylene carbonate;Cyclo(trimethylene carbonate);Trimethylene carbonate;m-Dioxan-2-one;
PSA 35.53000
LogP 0.54330

Synthetic route

: 503-30-0
trimethylene oxide

: 124-38-9
carbon dioxide

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With bis(acetylacetonate)oxovanadium; tetrabutylammomium bromide In toluene at 60℃; under 26252.6 Torr; for 8h; Autoclave; Cooling with ice; chemoselective reaction;	100%
tetraphenyl stibonium iodide at 100℃; under 36775.4 Torr; for 4h; Product distribution; Var. catalysts, solvents, time and temp.;	96%
tetraphenyl stibonium iodide at 100℃; under 36775.4 Torr; for 4h; Var. catalysts, solvents, time and temp.;	96%

: 332-25-2
4-(trifluoromethoxy)benzonitrile

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With 3,7-di([1,1′-biphenyl]-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 24h; Reagent/catalyst; Inert atmosphere; Irradiation; Sealed tube;	99%

: 124-38-9
carbon dioxide

: 627-30-5
1-chloro-3-hydroxypropane

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 40℃; under 760.051 Torr; for 15h; Reagent/catalyst; Temperature; Inert atmosphere; Glovebox; Green chemistry;	95%
With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; caesium carbonate In N,N-dimethyl-formamide at 40℃; under 760.051 Torr; for 15h; Concentration; Temperature; Glovebox; Inert atmosphere;	95 %Spectr.
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 20℃;

: 109-99-9
tetrahydrofuran

: 124-38-9
carbon dioxide

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With tetrabutylammomium bromide; C14H8O5(2-)Co(2+)0.5C24H30N4 at 20℃; under 11251.1 Torr; for 30h; High pressure;	90%

: 57-13-6
urea

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With ZnLa2O4 In neat liquid at 150℃; under 15.0015 Torr; Catalytic behavior; Reagent/catalyst; Time;	80.5%
With 1-hexadecyl-3-methylimidazolium chloride; zinc(II) chloride In neat (no solvent) at 160℃; under 112.511 Torr; for 3h; Green chemistry;	72.3%
With zinc(II) chloride In 1,1,2,2-tetrachloroethane at 146℃; for 24h; Temperature; Solvent; Inert atmosphere;	12 %Chromat.

: 542-52-9
Dibutyl carbonate

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With sodium butanolate Reagent/catalyst;	80%

: 124-38-9
carbon dioxide

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With 2-Cyanopyridine; cerium(IV) oxide at 129.84℃; under 37503.8 Torr; for 12h; Autoclave;	79%
With 2-Cyanopyridine; cerium(IV) oxide at 140℃; under 60006 Torr; for 1h; Autoclave;
With 2-Cyanopyridine; cerium(IV) oxide at 140℃; under 60006 Torr; for 1h; Autoclave;

: 201230-82-2
carbon monoxide

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With air; potassium iodide; palladium(II) iodide In ISOPROPYLAMIDE at 100℃; under 15201 Torr; for 15h; Autoclave;	74%
With oxygen; potassium iodide; palladium(II) iodide In N,N-dimethyl acetamide at 100℃; under 15201 Torr; for 15h;	74%
With (neocuproine)Pd(OAc)2; sode de l'acide trichloroisocyanurique In acetonitrile at 35℃; under 1794.37 Torr; for 18h;	38%

: 541-41-3
chloroformic acid ethyl ester

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran	70%
Stage #1: chloroformic acid ethyl ester; trimethyleneglycol In tetrahydrofuran for 1h; Cooling with ice; Stage #2: With triethylamine In tetrahydrofuran at 20℃; for 2h;	43%
With triethylamine In tetrahydrofuran at 0 - 20℃; for 2h;	21%

: 623-96-1
Dipropyl carbonate

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With sodium n-propoxide Reagent/catalyst;	68%

: 584-08-7
potassium carbonate

: 109-64-8
1,3-dibromo-propane

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
tributyltin chloride In N,N-dimethyl-formamide at 60℃; for 8h;	66%

: 105-58-8
Diethyl carbonate

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With sodium ethanolate Reagent/catalyst;	62%
With sodium methylate at 100 - 170℃;	30%
With sodium at 170℃; Entfernen des entstehenden Aethanols;
With sodium methylate at 160℃; Entfernen des entstehenden Aethanols;
With stannous octoate at 160℃; for 8h;

: 76508-46-8
2-ethoxy-1,3-dioxane

: 75-25-2
Bromoform

A: 2453-03-4
trimethylene carbonate

B: 74-96-4
ethyl bromide

C: 53452-10-1
3-Brompropylformiat

D: 75-07-0
acetaldehyde

E: 3-bromopropyl ethyl carbonate

F: 74-95-3
1,1-dibromomethane

Conditions

Conditions	Yield
dibenzoyl peroxide at 100℃; for 2h; Rate constant; Product distribution; other temperature;	A n/a B n/a C n/a D n/a E 60% F n/a

...Expand

: 75-25-2
Bromoform

: 2-(hexyloxy)-m-dioxane

A: 2453-03-4
trimethylene carbonate

B: 111-25-1
1-bromo-hexane

C: 53452-10-1
3-Brompropylformiat

D: 66-25-1
hexanal

E: 3-bromopropyl hexyl carbonate

F: 74-95-3
1,1-dibromomethane

Conditions

Conditions	Yield
dibenzoyl peroxide at 100℃; for 2h; Rate constant; Product distribution; other temperature;	A n/a B n/a C n/a D n/a E 56% F n/a

...Expand

: 530-62-1
1,1'-carbonyldiimidazole

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
Stage #1: 1,1'-carbonyldiimidazole; trimethyleneglycol at 20℃; Stage #2: With acetic acid Reflux;	53%

: 616-38-6
carbonic acid dimethyl ester

: 504-63-2
trimethyleneglycol

A: 2453-03-4
trimethylene carbonate

B: 179902-20-6
propane-1,3-diyl dimethyl dicarbonate

C: 3-(methoxycarbonyloxy)propan-1-ol

Conditions

Conditions	Yield
at 120℃; for 1h; Molecular sieve;	A 7.6% B 46% C 46.3%
With Novozym435 at 60℃; for 7h; Kinetics; Time; Molecular sieve; Enzymatic reaction;

...Expand

: 616-38-6
carbonic acid dimethyl ester

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
Stage #1: carbonic acid dimethyl ester; trimethyleneglycol With Novozym435 at 60℃; for 7h; Molecular sieve; Enzymatic reaction; Stage #2: at 90℃; for 40h; chemoselective reaction;	43.2%
With sodium at 79.84 - 169.84℃;

: 6482-34-4
bis-2-propyl carbonate

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With sodium isopropylate Reagent/catalyst;	25%

: 503-30-0
trimethylene oxide

: 124-38-9
carbon dioxide

A: 2453-03-4
trimethylene carbonate

B polymer, 21.5% ether linkages; monomer(s): oxetane; carbon dioxide: polymer, 21.5% ether linkages; monomer(s): oxetane; carbon dioxide

Conditions

Conditions	Yield
tricyclohexylphosphine In toluene at 110℃; under 26252.6 Torr; for 24h;	A 21.1% B 79 % Spectr.

...Expand

: 503-30-0
trimethylene oxide

: 124-38-9
carbon dioxide

A: 2453-03-4
trimethylene carbonate

B polymer, 7.2% ether linkages; monomer(s): oxetane; carbon dioxide: polymer, 7.2% ether linkages; monomer(s): oxetane; carbon dioxide

Conditions

Conditions	Yield
tetrabutylammomium bromide In toluene at 110℃; under 26252.6 Torr; for 24h;	A 11.7% B 88.2 % Spectr.

...Expand

: 503-30-0
trimethylene oxide

: 124-38-9
carbon dioxide

A: 2453-03-4
trimethylene carbonate

B polymer, 3.6% ether linkages; monomer(s): oxetane; carbon dioxide: polymer, 3.6% ether linkages; monomer(s): oxetane; carbon dioxide

Conditions

Conditions	Yield
(Ph3P)2NCl In toluene at 110℃; under 26252.6 Torr; for 24h;	A 5.9% B 94 % Spectr.

...Expand

: 503-30-0
trimethylene oxide

: 124-38-9
carbon dioxide

A: 2453-03-4
trimethylene carbonate

B polymer, 1.4% ether linkages; monomer(s): oxetane; carbon dioxide: polymer, 1.4% ether linkages; monomer(s): oxetane; carbon dioxide

Conditions

Conditions	Yield
(salen)Cr(III)Cl; (Ph3P)2NN3 In toluene at 110℃; under 26252.6 Torr; for 24h;	A 2.3% B 97.6 % Spectr.

...Expand

: 105014-07-1
2,2-diphenoxy-1,3-dioxane

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With hydrogenchloride In [D3]acetonitrile; water-d2

: 81381-75-1
1,3-Bis(1,3-dioxan-2-yloxy)propane

A: 2453-03-4
trimethylene carbonate

B: 110-74-7
propyl methanoate

C: 85533-20-6
2-propoxy-1,3-dioxane

D: 85533-24-0
3-([1,3]Dioxan-2-yloxy)-propionaldehyde

E: 85533-23-9
propyl 3-(1,3-dioxan-2-yloxy)propyl carbonate

Conditions

Conditions	Yield
With di-tert-butyl peroxide at 130℃; for 0.5h; Product distribution;	A 0.02 mol B 0.01 mol C 0.02 mol D 0.01 mol E 0.06 mol

...Expand

: 95104-50-0
2,2-Dimethoxy-1,3-dioxan

A: 2453-03-4
trimethylene carbonate

B: 3-(methoxycarbonyloxy)propan-1-ol

Conditions

Conditions	Yield
With hydrogenchloride In [D3]acetonitrile; water-d2

: 85533-20-6
2-propoxy-1,3-dioxane

A: 2453-03-4
trimethylene carbonate

B: 74-98-6
propane

C: 110-74-7
propyl methanoate

D: 623-96-1
Dipropyl carbonate

E: 123-38-6
propionaldehyde

Conditions

Conditions	Yield
With di-tert-butyl peroxide In chlorobenzene at 130℃; Product distribution; Rate constant; Mechanism;

...Expand

: 24424-99-5
di-tert-butyl dicarbonate

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
With dmap In acetonitrile at 20℃; cyclocondensation;	88 % Spectr.

: 75-44-5
phosgene

: 107-06-2
1,2-dichloro-ethane

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

...Expand

: 75-44-5
phosgene

: 504-63-2
trimethyleneglycol

: 2453-03-4
trimethylene carbonate

Conditions

Conditions	Yield
In 1,2-dichloro-ethane

: 2453-03-4
trimethylene carbonate

polymer, ring-opening polymerisation, Mw/Mn: 1.75; monomer(s): trimethylene carbonate: polymer, ring-opening polymerisation, Mw/Mn: 1.75; monomer(s): trimethylene carbonate

Conditions

Conditions	Yield
With [Sm{Ph2NC(NCy)2}3]*2C7H8 In toluene at 60℃; for 0.5h;	100%

: 2453-03-4
trimethylene carbonate

: 4341-19-9
hydrazinecarboxylic acid 3-hyroxypropyl ester

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol for 18h; Heating;	99%

: 2453-03-4
trimethylene carbonate

: 504-63-2
trimethyleneglycol

Conditions

Conditions	Yield
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen In tetrahydrofuran at 140℃; under 38002.6 Torr; for 2h; Pressure; Autoclave;	99%
With zinc bis(2,4-pentanedionate) monohydrate In benzene at 70℃; for 3h; Inert atmosphere;

: 2453-03-4
trimethylene carbonate

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: 97594-98-4
4,4,5,5,4',4',5',5'-octamethyl-2,2'-propane-1,3-diyldioxy-bis-[1,3,2]dioxaborolane

Conditions

Conditions	Yield
With manganese(II) triflate bis-acetonitrile solvate; potassium tert-butylate In benzene-d6 at 20℃; for 3h; Inert atmosphere; Glovebox;	99%
With C42H50Mg2N4 for 6h;	98 %Spectr.
With dibutylmagnesium In n-heptane; (2)H8-toluene at 85℃; for 6h;	> 95 %Spectr.
With tris(bis(trimethylsilyl)amido)lanthanum(III) In neat (no solvent) at 25℃; for 0.333333h; chemoselective reaction;	99 %Spectr.
In tetrahydrofuran at 25℃; for 2h; Inert atmosphere;

: 2453-03-4
trimethylene carbonate

: 110-63-4
Butane-1,4-diol

poly(trimethylene carbonate), PDI = 1.58; monomer(s): trimethylene carbonate; 1,4-butanediol: poly(trimethylene carbonate), PDI = 1.58; monomer(s): trimethylene carbonate; 1,4-butanediol

Conditions

Conditions	Yield
With tin(II) octanoate for 4h; Heating;	95%

: 2453-03-4
trimethylene carbonate

: 109-73-9
N-butylamine

: C8H17NO3

Conditions

Conditions	Yield
at 60℃; for 12h;	95%

: 2453-03-4
trimethylene carbonate

polymer, ring-opening polymerisation, Mw/Mn: 1.56; monomer(s): trimethylene carbonate: polymer, ring-opening polymerisation, Mw/Mn: 1.56; monomer(s): trimethylene carbonate

Conditions

Conditions	Yield
With [Yb{Ph2NC(NCy)2}3]*2C7H8 In toluene at 60℃; for 0.5h;	94.4%

: 2453-03-4
trimethylene carbonate

methylated poly(ethylene glycol): methylated poly(ethylene glycol)

: 95-96-5
D,L-lactide

poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 28.8:71.2, Mw/Mn = 1.13: poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 28.8:71.2, Mw/Mn = 1.13

Conditions

Conditions	Yield
With stannous octoate at 160℃; for 24h;	94.1%

...Expand

: 2453-03-4
trimethylene carbonate

methylated poly(ethylene glycol): methylated poly(ethylene glycol)

: 95-96-5
D,L-lactide

poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 13.2:86.8, Mw/Mn = 1.12: poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 13.2:86.8, Mw/Mn = 1.12

Conditions

Conditions	Yield
With stannous octoate at 160℃; for 24h;	93.8%

...Expand

: 502-44-3
hexahydro-2H-oxepin-2-one

: 2453-03-4
trimethylene carbonate

: 112-60-7
Tetraethylene glycol

: 4511-42-6
L,L-dilactide

polymer, A-B-A triblock copolymer, Mn 22000 Da, Mw 27000 Da by SEC, Mn 18000 Da by NMR, inherent viscosity at 20 deg C in CH2Cl2 (2g/l) 0.260 dl/g; monomer(s): ε-caprolactone; trimethylene carbonate; tetra(ethylene glycol); L-lactide: polymer, A-B-A triblock copolymer, Mn 22000 Da, Mw 27000 Da by SEC, Mn 18000 Da by NMR, inherent viscosity at 20 deg C in CH2Cl2 (2g/l) 0.260 dl/g; monomer(s): ε-caprolactone; trimethylene carbonate; tetra(ethylene glycol); L-lactide

Conditions

Conditions	Yield
Stage #1: hexahydro-2H-oxepin-2-one; trimethylene carbonate; Tetraethylene glycol With bismuth(III) n-hexanoate In chlorobenzene at 120℃; for 24h; Stage #2: L,L-dilactide In chlorobenzene at 120℃; for 24h; Further stages.;	92%

...Expand

: 502-44-3
hexahydro-2H-oxepin-2-one

: 2453-03-4
trimethylene carbonate

: 112-60-7
Tetraethylene glycol

: 4511-42-6
L,L-dilactide

polymer, A-B-A triblock copolymer, Mn 13000 Da, Mw 15000 Da by SEC, Mn 9800 Da by NMR, inherent viscosity at 20 deg C in CH2Cl2 (2g/l) 0.180 dl/g; monomer(s): ε-caprolactone; trimethylene carbonate; tetra(ethylene glycol); L-lactide: polymer, A-B-A triblock copolymer, Mn 13000 Da, Mw 15000 Da by SEC, Mn 9800 Da by NMR, inherent viscosity at 20 deg C in CH2Cl2 (2g/l) 0.180 dl/g; monomer(s): ε-caprolactone; trimethylene carbonate; tetra(ethylene glycol); L-lactide

Conditions

Conditions	Yield
Stage #1: hexahydro-2H-oxepin-2-one; trimethylene carbonate; Tetraethylene glycol With bismuth(III) n-hexanoate In chlorobenzene at 120℃; for 24h; Stage #2: L,L-dilactide In chlorobenzene at 120℃; for 24h; Further stages.;	91%

...Expand

: 2453-03-4
trimethylene carbonate

methylated poly(ethylene glycol): methylated poly(ethylene glycol)

: 95-96-5
D,L-lactide

poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 29.1:70.9, Mw/Mn = 1.03: poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 29.1:70.9, Mw/Mn = 1.03

Conditions

Conditions	Yield
With stannous octoate at 160℃; for 24h;	89.7%

...Expand

: 2453-03-4
trimethylene carbonate

methylated poly(ethylene glycol): methylated poly(ethylene glycol)

: 95-96-5
D,L-lactide

poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 33.2:66.8, Mw/Mn = 1.15: poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 33.2:66.8, Mw/Mn = 1.15

Conditions

Conditions	Yield
With stannous octoate at 160℃; for 24h;	89.7%

...Expand

: 2453-03-4
trimethylene carbonate

methylated poly(ethylene glycol): methylated poly(ethylene glycol)

: 95-96-5
D,L-lactide

poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 33.3:66.7, Mw/Mn = 1.20: poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 33.3:66.7, Mw/Mn = 1.20

Conditions

Conditions	Yield
With stannous octoate at 160℃; for 24h;	89.7%

...Expand

: 502-44-3
hexahydro-2H-oxepin-2-one

: 2453-03-4
trimethylene carbonate

: 112-60-7
Tetraethylene glycol

: 4511-42-6
L,L-dilactide

polymer, A-B-A triblock copolymer, Mn 21000 Da, Mw 26000 Da by SEC, Mn 15800 Da by NMR, inherent viscosity at 20 deg C in CH2Cl2 (2g/l) 0.255 dl/g; monomer(s): ε-caprolactone; trimethylene carbonate; tetra(ethylene glycol); L-lactide: polymer, A-B-A triblock copolymer, Mn 21000 Da, Mw 26000 Da by SEC, Mn 15800 Da by NMR, inherent viscosity at 20 deg C in CH2Cl2 (2g/l) 0.255 dl/g; monomer(s): ε-caprolactone; trimethylene carbonate; tetra(ethylene glycol); L-lactide

Conditions

Conditions	Yield
Stage #1: hexahydro-2H-oxepin-2-one; trimethylene carbonate; Tetraethylene glycol With bismuth(III) n-hexanoate In chlorobenzene at 120℃; for 24h; Stage #2: L,L-dilactide In chlorobenzene at 120℃; for 24h; Further stages.;	89%

...Expand

: 2453-03-4
trimethylene carbonate

: 108-95-2
phenol

: 6180-61-6
3-phenoxypropanol

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In N,N-dimethyl-formamide at 180℃; for 6h; Inert atmosphere; Schlenk technique;	88%

: 2453-03-4
trimethylene carbonate

methylated poly(ethylene glycol): methylated poly(ethylene glycol)

: 95-96-5
D,L-lactide

poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 82.1:17.9, Mw/Mn = 1.16: poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 82.1:17.9, Mw/Mn = 1.16

Conditions

Conditions	Yield
With stannous octoate at 160℃; for 24h;	87.8%

...Expand

: 2453-03-4
trimethylene carbonate

methylated poly(ethylene glycol): methylated poly(ethylene glycol)

: 95-96-5
D,L-lactide

poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 58.6:41.4, Mw/Mn = 1.19: poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 58.6:41.4, Mw/Mn = 1.19

Conditions

Conditions	Yield
With stannous octoate at 160℃; for 24h;	86.5%

...Expand

: 2453-03-4
trimethylene carbonate

polymer, ring-opening polymerisation, Mw/Mn: 1.66; monomer(s): trimethylene carbonate: polymer, ring-opening polymerisation, Mw/Mn: 1.66; monomer(s): trimethylene carbonate

Conditions

Conditions	Yield
With [Nd{Ph2NC(NCy)2}3]*2C7H8 In toluene at 40℃; for 0.5h;	85.65%

: 2453-03-4
trimethylene carbonate

methylated poly(ethylene glycol): methylated poly(ethylene glycol)

: 95-96-5
D,L-lactide

poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 35.1:64.9, Mw/Mn = 1.05: poly(D,L-lactide-co-trimethylene carbonate)-methylated poly(ethylene glycol) (MW: 2000 g/ml), molar ratio of D,L-lactide:trimethyl carbonate 35.1:64.9, Mw/Mn = 1.05

Conditions

Conditions	Yield
With stannous octoate at 160℃; for 24h;	85.5%

...Expand

: 502-44-3
hexahydro-2H-oxepin-2-one

: 2453-03-4
trimethylene carbonate

: 112-60-7
Tetraethylene glycol

: 4511-42-6
L,L-dilactide

polymer, A-B-A triblock copolymer, Mn 13000 Da, Mw 16000 Da by SEC, Mn 11000 Da by NMR, inherent viscosity at 20 deg C in CH2Cl2 (2g/l) 0.205 dl/g; monomer(s): ε-caprolactone; trimethylene carbonate; tetra(ethylene glycol); L-lactide: polymer, A-B-A triblock copolymer, Mn 13000 Da, Mw 16000 Da by SEC, Mn 11000 Da by NMR, inherent viscosity at 20 deg C in CH2Cl2 (2g/l) 0.205 dl/g; monomer(s): ε-caprolactone; trimethylene carbonate; tetra(ethylene glycol); L-lactide

Conditions

Conditions	Yield
Stage #1: hexahydro-2H-oxepin-2-one; trimethylene carbonate; Tetraethylene glycol With bismuth(III) n-hexanoate In chlorobenzene at 120℃; for 24h; Stage #2: L,L-dilactide In chlorobenzene at 120℃; for 24h; Further stages.;	82%

...Expand

: 502-44-3
hexahydro-2H-oxepin-2-one

: 2453-03-4
trimethylene carbonate

poly(ε-caprolactone-ran-trimethylene carbonate), Mn 3.98E4 by GPC, PDI 1.98; monomer(s): ε-caprolactone; trimethylene carbonate: poly(ε-caprolactone-ran-trimethylene carbonate), Mn 3.98E4 by GPC, PDI 1.98; monomer(s): ε-caprolactone; trimethylene carbonate

Conditions

Conditions	Yield
With scandium tris(2,6-di-tert-butyl-4-methylphenolate) In toluene at 100℃; for 8h;	80.1%

: 502-44-3
hexahydro-2H-oxepin-2-one

: 2453-03-4
trimethylene carbonate

poly(ε-caprolactone-ran-trimethylene carbonate), Mn 2.72E4 by GPC, PDI 2.06, 59.2 percent diads of caprolactone-caprolactone, 23.8 percent diads of trimethylene carbonate-trimethylene carbonate; monomer(s): ε-caprolactone; trimethylene carbonate: poly(ε-caprolactone-ran-trimethylene carbonate), Mn 2.72E4 by GPC, PDI 2.06, 59.2 percent diads of caprolactone-caprolactone, 23.8 percent diads of trimethylene carbonate-trimethylene carbonate; monomer(s): ε-caprolactone; trimethylene carbonate

Conditions

Conditions	Yield
With scandium tris(2,6-di-tert-butyl-4-methylphenolate) In toluene at 0℃; for 12h;	80%

: 2453-03-4
trimethylene carbonate

A: 67-56-1
methanol

B: 504-63-2
trimethyleneglycol

Conditions

Conditions	Yield
With (bis[(2-diisopropylphosphino)ethyl]amine)Mn(CO)2Br; hydrogen; sodium t-butanolate In tetrahydrofuran at 120℃; under 22502.3 Torr; for 26h; Schlenk technique; Glovebox; Autoclave;	A 75% B 80%
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen In tetrahydrofuran at 140℃; for 2h; Autoclave;	A 99 %Chromat. B 99 %Chromat.
With hydrogen In tetrahydrofuran at 159.84℃; under 45004.5 Torr; for 10h;

1,3-Dioxan-2-one Specification

The 1,3-Dioxan-2-one is an organic compound with the formula C₄H₆O₃. The systematic name of this chemical is 1,3-dioxan-2-one. With the CAS registry number 2453-03-4, it is also named as Polytrimethylene carbonate.

Physical properties about 1,3-Dioxan-2-one are: (1)ACD/LogP: -0.51; (2)ACD/LogD (pH 5.5): -0.51; (3)ACD/LogD (pH 7.4): -0.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.59; (7)ACD/KOC (pH 7.4): 12.59; (8)#H bond acceptors: 3; (9)Polar Surface Area: 35.53 Å²; (10)Index of Refraction: 1.425; (11)Molar Refractivity: 21.78 cm³; (12)Molar Volume: 85 cm³; (13)Polarizability: 8.63×10^-24cm³; (14)Surface Tension: 34.7 dyne/cm; (15)Density: 1.2 g/cm³; (16)Flash Point: 148.6 °C; (17)Enthalpy of Vaporization: 49.27 kJ/mol; (18)Boiling Point: 255.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0165 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCCO1
(2)InChI: InChI=1/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H2
(3)InChIKey: YFHICDDUDORKJB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C4H6O3/c5-4-6-2-1-3-7-4/h1-3H2
(5)Std. InChIKey: YFHICDDUDORKJB-UHFFFAOYSA-N

Product Name

1,3-Dioxan-2-one

Synthetic route

1,3-Dioxan-2-one Specification

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