Conditions | Yield |
---|---|
With triphenylphosphine In 5,5-dimethyl-1,3-cyclohexadiene at 95℃; for 22h; Reagent/catalyst; Inert atmosphere; | 98.6% |
Conditions | Yield |
---|---|
With 1,3-bis(2,6-diisopropylphenyl)dihydroimidazol-2-ylidene at 20℃; for 1h; | 98% |
With tetraethylammonium 2-(carbamoyl)benzoate at 50℃; for 6h; Neat (no solvent); | 95% |
With 1,3-dimethyl-4,5-diphenyl-2-(propan-2-ylidene)-2,3-dihydro-1H-imidazole; 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 20℃; for 48h; Inert atmosphere; Glovebox; | 89% |
Conditions | Yield |
---|---|
Stage #1: isocyanuric acid With tetrabutylammomium bromide; triethylamine; copper(l) chloride In 1,2-dichloro-ethane at 80℃; Large scale; Stage #2: allyl bromide In 1,2-dichloro-ethane at 80℃; for 6.5h; Temperature; Large scale; | 93.2% |
Conditions | Yield |
---|---|
With triethylamine In N,N-dimethyl-formamide at 20 - 60℃; for 4.17h; Solvent; Reagent/catalyst; Green chemistry; | 93% |
triallyl cyanurate
A
allyl chloroacetate
B
1,3-diallyl-[1,3,5]triazinane-2,4,6-trione
C
triallyl isocyanurate
Conditions | Yield |
---|---|
With chloroacetic acid In toluene for 2h; Heating; Yields of byproduct given; | A n/a B 91.5% C n/a |
With chloroacetic acid In toluene for 2h; Heating; Yield given. Yields of byproduct given; |
Conditions | Yield |
---|---|
With calcium chloride; potassium bromide In N,N-dimethyl-formamide at 120℃; | 91% |
With calcium chloride; potassium bromide In N,N-dimethyl-formamide at 120℃; Product distribution / selectivity; |
Conditions | Yield |
---|---|
copper(II) chloride hydrate In xylene at 120℃; for 2h; | 90% |
With copper(II) choride dihydrate In 5,5-dimethyl-1,3-cyclohexadiene at 65 - 75℃; Inert atmosphere; | 90% |
copper dichloride In toluene at 113 - 140℃; under 1.50015 - 2.25023 Torr; Product distribution / selectivity; |
triallyl cyanurate
A
Allyl acetate
B
1,3-diallyl-[1,3,5]triazinane-2,4,6-trione
C
triallyl isocyanurate
Conditions | Yield |
---|---|
With acetic acid In toluene for 2h; Heating; Yields of byproduct given; | A n/a B 85% C n/a |
With acetic acid In toluene for 2h; Heating; Yield given. Yields of byproduct given; |
triallyl cyanurate
A
Allyl ether
B
1,3-diallyl-[1,3,5]triazinane-2,4,6-trione
C
triallyl isocyanurate
Conditions | Yield |
---|---|
With allyl alcohol In toluene for 2h; Heating; Yields of byproduct given; | A n/a B 81.5% C n/a |
With allyl alcohol In toluene for 2h; Heating; Yield given. Yields of byproduct given; |
triallyl isocyanurate
Conditions | Yield |
---|---|
With hydrogenchloride In water for 5h; Heating; | 77% |
cyanuric acid
allyl alcohol
A
1,3-diallyl-[1,3,5]triazinane-2,4,6-trione
B
triallyl isocyanurate
Conditions | Yield |
---|---|
With triphenylphosphine In 5,5-dimethyl-1,3-cyclohexadiene at 95℃; for 8h; Time; Reagent/catalyst; Solvent; Inert atmosphere; | A 13% B 68.1% |
Conditions | Yield |
---|---|
With sodium carbonate; potassium bromide In dimethyl sulfoxide at 65℃; for 1.5h; | 68% |
triallyl cyanurate
2,4,6-tris(methallyloxy)-1,3,5-triazine
A
triallyl isocyanurate
B
1-(allyl)-3,5-bis(2-methylprop2-en-1-yl)isocyanurate
C
1-(2-methylprop-2-en-1-yl)-3,5-bis(3-propenyl)isocyanurate
D
tris-2-methylprop-2-en-1-ylisocyanurate
Conditions | Yield |
---|---|
With CuCl2.2H2O In toluene for 4h; Heating; | A 18.5% B 31.7% C 40.4% D 9.4% |
at 190 - 200℃; for 5h; | A 23.3% B 31.6% C 24% D 21.1% |
at 190 - 200℃; for 5h; | A 23.3% B 31.6% C 24% D 21.1% |
Conditions | Yield |
---|---|
With acetonitrile at 150℃; |
potassium cyanate
3-chloroprop-1-ene
acetonitrile
A
1,3-diallylurea
B
triallyl isocyanurate
Conditions | Yield |
---|---|
at 150℃; |
Conditions | Yield |
---|---|
With sodium hydride 1.) HMPA, 100 deg C, 3 h, 2.) HMPA, 100 deg C, 3 h; Yield given. Multistep reaction; |
B
triallyl isocyanurate
Conditions | Yield |
---|---|
With oxygen In chlorobenzene at 70℃; |
Conditions | Yield |
---|---|
With potassium carbonate In dimethyl sulfoxide at 20 - 80℃; | |
With magnesium sulfate; potassium carbonate In dimethyl sulfoxide; ethyl acetate |
Conditions | Yield |
---|---|
With sodium hydrogen sulfate In dimethyl sulfoxide at 95℃; Temperature; |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 120 - 125℃; for 6h; | 154.6 g |
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) at 110℃; for 5h; | 100% |
triallyl isocyanurate
1,3,5-tris(β,γ-dibromopropyl)-2,4,6-trioxo-1,3,5-triazine
Conditions | Yield |
---|---|
With tetraethylammonium bromide; bromine In dichloromethane at 60℃; for 20h; Reagent/catalyst; Solvent; Temperature; | 99.5% |
Conditions | Yield |
---|---|
With bis(1-methyl-1-phenylethyl)peroxide at 105℃; for 8h; Temperature; Reagent/catalyst; Inert atmosphere; Schlenk technique; | 97% |
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) at 70℃; for 4h; | 96% |
Conditions | Yield |
---|---|
With platinum-containing olefin organic polymer catalyst at 25℃; for 24h; | 95% |
Conditions | Yield |
---|---|
In acetone | 90.4% |
triallyl isocyanurate
9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide
Conditions | Yield |
---|---|
With dibenzoyl peroxide In 1,4-dioxane at 110℃; under 7500.75 Torr; for 12h; Pressure; Temperature; Solvent; Autoclave; Large scale; | 88.5% |
In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 10h; Solvent; Temperature; |
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; Cooling with ice; | 76% |
2-mercaptoethyl-3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
triallyl isocyanurate
C33H57N3O15S3
Conditions | Yield |
---|---|
With 2,2-bis(hydroxymethyl)propionic acid In methanol at 20℃; Inert atmosphere; UV-irradiation; | 71% |
triallyl isocyanurate
thioacetic acid
1,3,5-tris(3-acetylmercaptopropyl)-1,3,5-triazine-2,4,6-trione
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In tetrahydrofuran at 65℃; for 16.5h; Inert atmosphere; | 67% |
With 2,2'-azobis(isobutyronitrile) In methanol; water |
Conditions | Yield |
---|---|
In ethanol heated for 3 d at 80-90°C in a sealed tube; | 50% |
Conditions | Yield |
---|---|
In methanol heated for 3 d at 50-60°C in a sealed tube; | 40% |
Conditions | Yield |
---|---|
In water | 34% |
Conditions | Yield |
---|---|
With hydrogenchloride; toluene dann Erhitzen bis auf 220grad oder beim Behandeln mit Chlorwasserstoff bei 130grad; |
The Triallyl isocyanurate, with the CAS registry number 1025-15-6, is also known as 1,3,5-Triallylisocyanurate. It belongs to the product categories of Allyl Monomers; Monomers; Polymer Science. Its EINECS number is 213-834-7. This chemical's molecular formula is C12H15N3O3 and molecular weight is 249.27. What's more, its systematic name is 1,3,5-tri(prop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione. Its classification code is Mutation data. It is stable at common pressure and temperature, and it should be sealed and stored at the temperature of 2 - 8 °C. Moreover, it should be protected from oxides. You should not breathe dust. It is used as an assistant-vulcanizing agent of special rubber and a cross-linking agent of unsaturated polyester fiberglass-reinforced plastics.
Physical properties of Triallyl isocyanurate are: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.43; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.87; (8)ACD/KOC (pH 7.4): 13.87; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 60.93 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 65.98 cm3; (15)Molar Volume: 216.6 cm3; (16)Polarizability: 26.15×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 153.4 °C; (20)Enthalpy of Vaporization: 55.64 kJ/mol; (21)Boiling Point: 315.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000445 mmHg at 25°C.
Preparation of Triallyl isocyanurate: this chemical can be prepared by 1,3,5-triallyl-[1,3,5]triazinane-2,4,6-triylidenetriamine by heating. This reaction will need reagent conc. HCl and solvent H2O with the reaction time of 5 hours. The yield is about 77%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C(=O)N(C(=O)N1C\C=C)C\C=C)C\C=C
(2)Std. InChI: InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2
(3)Std. InChIKey: KOMNUTZXSVSERR-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 1gm/kg (1000mg/kg) | National Technical Information Service. Vol. OTS0536507. |
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