Identification | Back Directory | [Name]
2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one | [CAS]
135302-13-5 | [Synonyms]
Triazole moiety 5-Methoxy-4-Methyl-1,2,4-triazolinone 3-Methoxy-4-methyl-1H-1,2,4-triazol-5-one Thiencarbazone-methyl Metabolite AE1277106 3-Methoxy-4-Methyl-1H-1,2,4-triazol-5(4H)-one 2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one 3H-1,2,4-triazol-3-one,2,4-dihydro-5-methoxy-4-methyl 5-methoxy-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | [EINECS(EC#)]
619-590-1 | [Molecular Formula]
C4H7N3O2 | [MDL Number]
MFCD09744038 | [MOL File]
135302-13-5.mol | [Molecular Weight]
129.12 |
Chemical Properties | Back Directory | [Melting point ]
138 - 140°C | [density ]
1.42±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Chloroform (Slightly, Sonicated), Methanol (Slightly), Water (Slightly, Sonicated) | [form ]
Solid | [pka]
6.85±0.20(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C4H7N3O2/c1-7-3(8)5-6-4(7)9-2/h1-2H3,(H,5,8) | [InChIKey]
AMHDHUVBOKXALL-UHFFFAOYSA-N | [SMILES]
N1=C(OC)N(C)C(=O)N1 | [LogP]
-0.6--0.5 at 24-25℃ and pH5-9 | [Dissociation constant]
10.4 at 25℃ | [EPA Substance Registry System]
3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methoxy-4-methyl- (135302-13-5) |
Hazard Information | Back Directory | [Uses]
2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one is a white powder and is mainly used as a pesticide intermediate. | [Synthesis]
Example 7 Preparation of 5-methoxy-4-methyl-2,4-dihydro-1,2,4-triazol-3-one: 4.77 g (25.0 mmol) of methyl N'-dimethoxymethylidenehydrazine carboxylate (85% purity) was mixed with 15.3 g of 51% methanol solution of methylamine (containing 250 mmol of methylamine), and stirred at room temperature for 3 days. After completion of the reaction, the orange-red solution was concentrated under reduced pressure to remove excess methylamine to give the crude product methyl N'-(methoxymethylaminomethylene) hydrazine carboxylate. The crude product was dissolved in 15 ml of methanol, 4.95 g (27.5 mmol) of a methanolic solution of 30% sodium methanolate was added, and the reaction was heated to 50 °C for 3 h 50 min. After the reaction mixture was cooled to room temperature, it was neutralized with 2N HCl and concentrated under reduced pressure. The residue was dissolved in 6 ml of water and placed in a refrigerator overnight for crystallization. Colorless crystals were collected by filtration, washed with cold water and dried under reduced pressure to give 1.70 g (52.7% yield) of 5-methoxy-4-methyl-2,4-dihydro-1,2,4-triazol-3-one as a colorless solid with a melting point of 146-148 °C. | [References]
[1] Patent: US6248900, 2001, B1 [2] Patent: US6248900, 2001, B1 |
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