4-methylurazole
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
With silica gel; periodic acid; sodium nitrite In dichloromethane at 20℃; for 1.5h; | 100% |
With trichloroisocyanuric acid In dichloromethane at 20℃; for 0.5h; | 100% |
With tert-butylhypochlorite In dichloromethane at 0℃; for 1h; | 99% |
ethyl 2-(methylcarbamoyl)hydrazine-1-carboxylate
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
Stage #1: ethyl 2-(methylcarbamoyl)hydrazine-1-carboxylate With methanol; potassium carbonate at 65℃; for 2h; Inert atmosphere; Stage #2: With water at 65℃; for 12h; Stage #3: With tert-butylhypochlorite In ethyl acetate Darkness; Inert atmosphere; | 73% |
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
With tert-butylhypochlorite In ethyl acetate for 0.666667h; Ambient temperature; |
C23H31N3O2
A
adamantylidene-adamantane
B
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
In chloroform-d1 at -20.1 - 19.9℃; Equilibrium constant; |
8,9-benzo-4-methyl-2,4,6-triazatricyclo<5.2.2.02.6>undeca-8,10-diene-3,5-dione
A
naphthalene
B
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Thermodynamic data; Further Variations:; Solvents; Temperatures; Decomposition; cycloreversion; |
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Decomposition; cycloreversion; |
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Decomposition; cycloreversion; |
C14H13N3O2
A
1-Methylnaphthalene
B
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Decomposition; cycloreversion; |
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Decomposition; cycloreversion; |
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Decomposition; cycloreversion; |
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Decomposition; cycloreversion; |
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Decomposition; cycloreversion; |
C15H15N3O2
A
2,3-dimethylnaphthalene
B
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Decomposition; cycloreversion; |
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Decomposition; cycloreversion; |
A
2,3,6,7-tetramethylnaphthalene
B
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
With 2,3-Dimethyl-2-butene; 1,1-dichloroethane In chloroform-d1 at 29℃; Kinetics; Decomposition; cycloreversion; |
1-(trimethylsilyl)benzene 1,2-oxide
4-methyl-1,2,4-triazoline-3,5-dione
1-(trimethylsilyl)benzene oxide oxepin-4-methyl-1,2,4-triazoline-3,5-dione addukt
Conditions | Yield |
---|---|
100% | |
1-(trimethylsilyl)-4-methylbenzene oxide-oxepin
4-methyl-1,2,4-triazoline-3,5-dione
10,11-epoxy-2,6-dimethyl-10-trimethylsilanyl-5,8-dihydro-5,8-ethano-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
Conditions | Yield |
---|---|
100% | |
1-(trimethylsilyl)-2-methylbenzene oxide-oxepin
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
100% |
4a,9,9a,10-tetrahydro-9,10-etheno-4a,9-methanoanthracene
4-methyl-1,2,4-triazoline-3,5-dione
C20H17N3O2
Conditions | Yield |
---|---|
100% |
(1α,2β,3α,6α,7β,8α)-4,5:9,10-Dibenzotetracyclo<6.2.1.13,6.02,7>dodeca-4,9-diene
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
In diethyl ether for 3h; Ambient temperature; Irradiation; | 100% |
Conditions | Yield |
---|---|
100% |
diisopropylidenethiirane oxide
4-methyl-1,2,4-triazoline-3,5-dione
2,2,4,6,6-Pentamethyl-1-oxo-2,6-dihydro-1H-1λ4-thia-2a,4,5a-triaza-cyclopropa[f]indene-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane Ambient temperature; | 100% |
4,5,6,7-tetrahydro-2,2-dimethyl-4,7-methano-2H-indene
4-methyl-1,2,4-triazoline-3,5-dione
anti-1,4,5,6,7,8-hexahydro-N,10,10-trimethyl-1,4:5,8-dimethanophthalazine-2,3-dicarboximide
Conditions | Yield |
---|---|
In ethyl acetate at -78℃; for 0.5h; | 100% |
heptacyclo<8.6.1.02,7.02,14.07,17.08,13.011,16>heptadeca-3,5-dien-12-one ethylene acetal
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; Ambient temperature; | 100% |
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; Ambient temperature; | 100% |
1-Methyl-5,6-di-p-tolyl-1H-pyrazin-2-one
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; Ambient temperature; | 100% |
4-methyl-1,2,4-triazoline-3,5-dione
1-methyl-5,6-diphenylpyrazine-2(1H)-one
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; Ambient temperature; | 100% |
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; Ambient temperature; | 100% |
(+/-)-(1R*,2R*)-12-oxa-3-azatetracyclo[4.4.3.22,5.01,6]pentadeca-3,7,9-triene
4-methyl-1,2,4-triazoline-3,5-dione
(DL-1R,2S,7R)-N-methyl-12-oxa-3,4,8-triazapentacyclo<4.4.3.22,5.27,10.01,6>heptadeca-8,16-dien-3,4-dicarboximide
Conditions | Yield |
---|---|
In dichloromethane at 25℃; for 0.5h; Cycloaddition; | 100% |
(+/-)-(1R*,2R*)-12-oxa-3-azatetracyclo[4.4.3.22,5.01,6]pentadeca-3,7,9-triene 3-oxide
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane at 25℃; for 0.166667h; Cycloaddition; | 100% |
(1R*,2R*)-12-oxa-3,4-diazatetracyclo[4.4.3.22,5.01,6]pentadeca-3,7,9-triene
4-methyl-1,2,4-triazoline-3,5-dione
(1R*,2S*,7R*)-12-oxa-3,4,8,9-tetraazapentacyclo[4.4.3.22,5.27,10.01,6]heptadeca-3,14-diene-8,9-methyldicarboximide
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; Cycloaddition; | 100% |
4-methyl-1,2,4-triazoline-3,5-dione
(1R*,2R*)-3,4-diazatetracyclo[4.4.2.22,5.01,6]tetradeca-7,9,13-triene-3,4-methyldicarboximide
Conditions | Yield |
---|---|
In dichloromethane at 0℃; for 0.5h; Cycloaddition; | 100% |
4-methyl-1,2,4-triazoline-3,5-dione
(1R*,2R*)-3,4-diazatetracyclo[4.4.2.22,5.01,6]tetradeca-3,7,9-triene
(1R*,2R*,7S)-3,4,8,9-tetraazapentacyclo[4.4.2.22,5.27,10.01,6]hexadeca-3,13-diene-8,9-methyldicarboximide
Conditions | Yield |
---|---|
In dichloromethane Cycloaddition; | 100% |
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane at -10℃; for 0.166667h; Cycloaddition; | 100% |
4-methyl-1,2,4-triazoline-3,5-dione
(+/-)-(1R*,2S*,7R*)-12-oxa-3,4,8,9-tetraazapentacyclo[4.4.3.22,5.27,10.01,6]heptadeca-3,14-diene-8,9-methyldicarboximide 3-oxide
Conditions | Yield |
---|---|
In dichloromethane at -10℃; for 0.333333h; Cycloaddition; | 100% |
1,2,3,4-tetrahydrocarbazole
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane at 0℃; for 0.0166667h; | 100% |
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
100% |
Trimethyl-((Z)-1-methyl-hex-1-enyl)-silane
4-methyl-1,2,4-triazoline-3,5-dione
1-<1-butyl-2-(trimethylsilyl)-2-propenyl>-4-methyl-1,2,4-triazolidine-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 24h; | 99% |
(E/Z)-dimethyl(1-methyl-1-propenyl)phenylsilane
4-methyl-1,2,4-triazoline-3,5-dione
1-<2-(dimethylphenylsilyl)-1-methyl-2-propenyl>-4-methyl-1,2,4-triazolidine-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 18h; Product distribution; Mechanism; other vinylsilanes; | 99% |
In dichloromethane at 20℃; for 18h; | 99% |
Conditions | Yield |
---|---|
In dichloromethane at -47℃; for 0.333333h; | 99% |
4-methyl-1,2,4-triazoline-3,5-dione
1,3,5-trimethyl-benzene
1-(2,4,6-trimethylbenzene)-4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
With trifluoroacetic acid In chloroform at 62℃; for 7h; | 99% |
4-methyl-1,2,4-triazoline-3,5-dione
1-methoxy-3-methyl-benzene
1-(4-methoxy-2-methylbenzene)-4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
With trifluoroacetic acid In chloroform at 62℃; for 0.166667h; regioselective reaction; | 99% |
cyclohex-1-enyl-trimethyl-silane
4-methyl-1,2,4-triazoline-3,5-dione
4-methyl-1-<2-(trimethylsilyl)-2-cyclohexen-1-yl>-1,2,4-triazolidine-3,5-dione
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 48h; | 98% |
5-Benzyl-3,6-dihydro-6-oxo-1,3-diphenyl-1-pyrimidinium-4-olat
4-methyl-1,2,4-triazoline-3,5-dione
Conditions | Yield |
---|---|
In ethyl acetate Ambient temperature; | 98% |
The 3H-1, 2, 4-Triazole-3, 5(4H)-dione, 4-methyl-, with the CAS registry number 13274-43-6, is also known as 4-Methyl-3H-1, 2, 4-triazole-3, 5(4H)-dione. It belongs to the product categories of Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Triazoles. This chemical's molecular formula is C3H3N3O2 and molecular weight is 113.07. What's more, its IUPAC name is 4-Methyl-1, 2, 4-triazole-3, 5-dione.
Physical properties about 3H-1, 2, 4-Triazole-3, 5(4H)-dione, 4-methyl- are: (1)ACD/LogP: -2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.93; (8)ACD/KOC (pH 7.4): 1.93; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 62.1 Å2; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 25.39 cm3; (15)Molar Volume: 65.8 cm3; (16)Polarizability: 10.06×10-24 cm3; (17)Surface Tension: 73.4 dyne/cm; (18)Density: 1.71 g/cm3; (19)Flash Point: 36.9 °C; (20)Enthalpy of Vaporization: 37.48 kJ/mol; (21)Boiling Point: 137.5 °C at 760 mmHg; (22)Vapour Pressure: 7.04 mmHg at 25 °C.
Preparation of 3H-1, 2, 4-Triazole-3, 5(4H)-dione, 4-methyl-: this chemical is prepared by 4-Methyl-[1, 2, 4]triazolidine-3, 5-dione. This reaction needs reagents H5IO6; NaNO2; SiO2. Meanwhile, it needs solvent CH2Cl2. The reaction time is 1.5 hours with reaction temperature of 20 °C. The yield is about 100 %.
Uses of 3H-1, 2, 4-Triazole-3, 5(4H)-dione, 4-methyl-: it is used to produce other chemicals. For example, it is used to produce C22H26N6O4 at ambient temperature. The yield is about 72 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\N=N/C(=O)N1C
(2) InChI: InChI=1/C3H3N3O2/c1-6-2(7)4-5-3(6)8/h1H3
(3) InChIKey: XRYKNRLGZZNWEE-UHFFFAOYAL
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